 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_B3LYPDBJ-def2SVPDr.in
 Output=27_methylindane_Chair_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/27_methylindane_Chair_STD/Gau-14854.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14859.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Chair_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0410858014 Hartrees.
 Nuclear repulsion after empirical dispersion term =      505.9460084488 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.80D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               8.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636939162 LenY=  5636838865
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.078995338714    
 DIIS: error= 2.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.078995338714     IErMin= 1 ErrMin= 2.82D-03
 ErrMax= 2.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-03 BMatP= 5.78D-03
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.226 Goal=   None    Shift=    0.000
 GapD=    0.226 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.01D-02 MaxDP=6.25D-01              OVMax= 1.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.40D-02    CP:  1.51D+00
 E= -388.084246205378     Delta-E=       -0.005250866663 Rises=F Damp=F
 DIIS: error= 2.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.084246205378     IErMin= 2 ErrMin= 2.70D-04
 ErrMax= 2.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-05 BMatP= 5.78D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.70D-03
 Coeff-Com: -0.626D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.624D-02 0.101D+01
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=9.97D-04 MaxDP=3.37D-02 DE=-5.25D-03 OVMax= 2.56D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.48D-04    CP:  1.53D+00  1.05D+00
 E= -388.084242915508     Delta-E=        0.000003289870 Rises=F Damp=F
 DIIS: error= 3.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -388.084246205378     IErMin= 2 ErrMin= 2.70D-04
 ErrMax= 3.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-05 BMatP= 4.64D-05
 IDIUse=3 WtCom= 3.65D-01 WtEn= 6.35D-01
 Coeff-Com: -0.115D-01 0.542D+00 0.469D+00
 Coeff-En:   0.000D+00 0.514D+00 0.486D+00
 Coeff:     -0.418D-02 0.524D+00 0.480D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=4.03D-03 DE= 3.29D-06 OVMax= 2.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.52D-05    CP:  1.53D+00  1.04D+00  7.50D-01
 E= -388.084306098384     Delta-E=       -0.000063182876 Rises=F Damp=F
 DIIS: error= 6.98D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.084306098384     IErMin= 4 ErrMin= 6.98D-05
 ErrMax= 6.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-06 BMatP= 4.64D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.520D-02 0.177D+00 0.227D+00 0.601D+00
 Coeff:     -0.520D-02 0.177D+00 0.227D+00 0.601D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=3.65D-05 MaxDP=9.64D-04 DE=-6.32D-05 OVMax= 1.19D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.14D-05    CP:  1.53D+00  1.04D+00  7.88D-01  7.50D-01
 E= -388.084308114002     Delta-E=       -0.000002015618 Rises=F Damp=F
 DIIS: error= 4.50D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.084308114002     IErMin= 5 ErrMin= 4.50D-05
 ErrMax= 4.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-02 0.161D-01 0.613D-01 0.418D+00 0.506D+00
 Coeff:     -0.143D-02 0.161D-01 0.613D-01 0.418D+00 0.506D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=5.00D-04 DE=-2.02D-06 OVMax= 5.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.71D-06    CP:  1.53D+00  1.04D+00  7.89D-01  8.09D-01  5.74D-01
 E= -388.084309487801     Delta-E=       -0.000001373799 Rises=F Damp=F
 DIIS: error= 3.93D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.084309487801     IErMin= 6 ErrMin= 3.93D-06
 ErrMax= 3.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-08 BMatP= 1.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.474D-03 0.236D-02 0.197D-01 0.159D+00 0.215D+00 0.605D+00
 Coeff:     -0.474D-03 0.236D-02 0.197D-01 0.159D+00 0.215D+00 0.605D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.24D-06 MaxDP=5.94D-05 DE=-1.37D-06 OVMax= 4.77D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.83D-06    CP:  1.53D+00  1.04D+00  7.89D-01  8.12D-01  5.98D-01
                    CP:  8.80D-01
 E= -388.084309498289     Delta-E=       -0.000000010488 Rises=F Damp=F
 DIIS: error= 1.48D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.084309498289     IErMin= 7 ErrMin= 1.48D-06
 ErrMax= 1.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 1.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.542D-04-0.943D-03 0.171D-02 0.252D-01 0.441D-01 0.318D+00
 Coeff-Com:  0.612D+00
 Coeff:     -0.542D-04-0.943D-03 0.171D-02 0.252D-01 0.441D-01 0.318D+00
 Coeff:      0.612D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=6.69D-07 MaxDP=2.33D-05 DE=-1.05D-08 OVMax= 1.57D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.04D-07    CP:  1.53D+00  1.04D+00  7.89D-01  8.13D-01  5.97D-01
                    CP:  8.98D-01  7.82D-01
 E= -388.084309500201     Delta-E=       -0.000000001912 Rises=F Damp=F
 DIIS: error= 2.57D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.084309500201     IErMin= 8 ErrMin= 2.57D-07
 ErrMax= 2.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.70D-11 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-05-0.541D-03-0.382D-03 0.209D-02 0.766D-02 0.108D+00
 Coeff-Com:  0.270D+00 0.613D+00
 Coeff:      0.219D-05-0.541D-03-0.382D-03 0.209D-02 0.766D-02 0.108D+00
 Coeff:      0.270D+00 0.613D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=3.75D-06 DE=-1.91D-09 OVMax= 2.60D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.07D-07    CP:  1.53D+00  1.04D+00  7.89D-01  8.13D-01  5.98D-01
                    CP:  9.05D-01  7.74D-01  7.28D-01
 E= -388.084309500278     Delta-E=       -0.000000000077 Rises=F Damp=F
 DIIS: error= 7.60D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.084309500278     IErMin= 9 ErrMin= 7.60D-08
 ErrMax= 7.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-12 BMatP= 7.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.349D-05-0.195D-03-0.248D-03-0.288D-03 0.143D-02 0.322D-01
 Coeff-Com:  0.906D-01 0.276D+00 0.600D+00
 Coeff:      0.349D-05-0.195D-03-0.248D-03-0.288D-03 0.143D-02 0.322D-01
 Coeff:      0.906D-01 0.276D+00 0.600D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=3.80D-08 MaxDP=1.37D-06 DE=-7.69D-11 OVMax= 8.80D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.53D+00  1.04D+00  7.89D-01  8.13D-01  5.98D-01
                    CP:  9.06D-01  7.73D-01  7.37D-01  8.62D-01
 E= -388.084309500292     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 3.52D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -388.084309500292     IErMin=10 ErrMin= 3.52D-08
 ErrMax= 3.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-13 BMatP= 4.53D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-05-0.602D-04-0.997D-04-0.329D-03 0.192D-03 0.859D-02
 Coeff-Com:  0.270D-01 0.101D+00 0.331D+00 0.533D+00
 Coeff:      0.166D-05-0.602D-04-0.997D-04-0.329D-03 0.192D-03 0.859D-02
 Coeff:      0.270D-01 0.101D+00 0.331D+00 0.533D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=4.63D-07 DE=-1.46D-11 OVMax= 5.02D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.08D-08    CP:  1.53D+00  1.04D+00  7.89D-01  8.13D-01  5.98D-01
                    CP:  9.05D-01  7.73D-01  7.36D-01  8.75D-01  7.95D-01
 E= -388.084309500290     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.20D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -388.084309500292     IErMin=11 ErrMin= 1.20D-08
 ErrMax= 1.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-13 BMatP= 6.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-06-0.592D-05-0.203D-04-0.155D-03-0.889D-04 0.171D-03
 Coeff-Com:  0.220D-02 0.177D-01 0.105D+00 0.328D+00 0.547D+00
 Coeff:      0.439D-06-0.592D-05-0.203D-04-0.155D-03-0.889D-04 0.171D-03
 Coeff:      0.220D-02 0.177D-01 0.105D+00 0.328D+00 0.547D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.87D-09 MaxDP=1.65D-07 DE= 1.93D-12 OVMax= 1.63D-07

 SCF Done:  E(RB3LYP) =  -388.084309500     A.U. after   11 cycles
            NFock= 11  Conv=0.49D-08     -V/T= 2.0121
 KE= 3.834421272309D+02 PE=-1.908197507954D+03 EE= 6.307250627745D+02
 Leave Link  502 at Fri Jul 16 13:12:13 2021, MaxMem=  5637144576 cpu:             998.6 elap:             125.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.76435477D+02

 Leave Link  801 at Fri Jul 16 13:12:14 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 5.52D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 4.13D-01 1.09D-01.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 5.66D-02 6.12D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 4.52D-03 1.85D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 6.75D-04 7.24D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 2.09D-05 6.35D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 2.99D-07 1.55D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 4.54D-09 1.07D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 8.48D-11 1.68D-06.
      7 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 9.57D-13 3.07D-07.
      1 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 6.75D-15 1.98D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146440D+03
      2  0.168942D+01  0.123822D+03
      3 -0.233449D+01  0.541047D+01  0.820904D+02
 Isotropic polarizability for W=    0.085645      117.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.823122D+02 -0.132233D+02  0.896654D+01
      2   0.369526D+02  0.544620D+01 -0.572967D+01
      3   0.453597D+02  0.777709D+01 -0.323687D+01
      4  -0.222338D+02 -0.359900D+02 -0.319963D+02
      5   0.226667D+02 -0.323402D+02  0.410903D+02
      6  -0.144889D+02  0.685080D+01 -0.189034D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.276324D+01 -0.233801D+01  0.237943D+01
      2   0.105789D+02 -0.152421D+02  0.150744D+02
      3   0.125414D+01  0.345002D+02  0.124554D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.343970D+00  0.125805D+02  0.966742D+01
      2  -0.137002D+02 -0.175074D+02 -0.426939D+01
      3  -0.901047D+01  0.729426D+02  0.178513D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.147937D+01 -0.220020D+01 -0.826273D+00
      2  -0.220020D+01  0.323246D+01 -0.380950D+01
      3  -0.826273D+00 -0.380950D+01 -0.177660D+01
 OR G Eigenvalues:    -4.8366    -0.8253     5.6384  Iso=     0.0078
 Eigenvectors:
   (1)   0.492191   0.477749   0.727670
   (2)   0.841782  -0.048323  -0.537650
   (3)  -0.221698   0.877167  -0.425945
 w=    0.085645 a.u., Optical Rotation Beta=      0.0078 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =        2.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 5.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.87D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 3.52D-02 4.44D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 1.48D-03 6.81D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 1.99D-05 4.64D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 1.26D-07 4.82D-05.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 7.58D-10 3.09D-06.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 1.60D-12 1.29D-07.
      5 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 2.77D-15 4.91D-09.
      3 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 6.45D-16 3.42D-09.
      3 vectors produced by pass  9 Test12= 2.60D-14 2.78D-09 XBig12= 4.12D-15 1.35D-08.
      1 vectors produced by pass 10 Test12= 2.60D-14 2.78D-09 XBig12= 2.58D-15 7.70D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.22D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.22D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146440D+03  0.168942D+01 -0.233449D+01
      2   0.168942D+01  0.123822D+03  0.541047D+01
      3  -0.233449D+01  0.541047D+01  0.820904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.276324D+01 -0.233801D+01  0.237943D+01
      2   0.105789D+02 -0.152421D+02  0.150744D+02
      3   0.125414D+01  0.345002D+02  0.124554D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.823122D+02 -0.132233D+02  0.896654D+01
      2   0.369526D+02  0.544620D+01 -0.572967D+01
      3   0.453597D+02  0.777709D+01 -0.323687D+01
      4  -0.222338D+02 -0.359900D+02 -0.319963D+02
      5   0.226667D+02 -0.323402D+02  0.410903D+02
      6  -0.144889D+02  0.685080D+01 -0.189034D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.693623D+00 -0.144770D+01 -0.624187D+00 -0.479121D+01  0.500184D+00
      2  -0.144770D+01 -0.224285D+01 -0.700942D+00  0.500184D+00 -0.220941D+01
      3  -0.624187D+00 -0.700942D+00 -0.179220D+01  0.117971D+01  0.850905D+00
                 6             7             8             9            10 
      1   0.117971D+01 -0.169537D+01  0.734023D+00 -0.388686D+01 -0.447216D+01
      2   0.850905D+00  0.734023D+00  0.134527D+01 -0.310670D+01  0.127602D+01
      3  -0.145506D+01 -0.388686D+01 -0.310670D+01 -0.689072D+00 -0.509309D+00
                11            12            13            14            15 
      1   0.127602D+01 -0.509309D+00  0.236403D+01  0.185711D+01  0.126777D+01
      2  -0.257309D+01 -0.848435D-01  0.185711D+01  0.200337D+01 -0.515167D+00
      3  -0.848435D-01 -0.198212D+01  0.126777D+01 -0.515167D+00  0.367766D+00
                16            17            18            19            20 
      1   0.110565D+00  0.148527D+01 -0.500952D+01 -0.153871D+01  0.418418D+01
      2   0.148527D+01  0.306480D+00  0.114132D+01  0.418418D+01  0.105755D+01
      3  -0.500952D+01  0.114132D+01  0.146331D+01  0.510112D+00 -0.221248D+00
                21            22            23            24            25 
      1   0.510112D+00 -0.561050D+01  0.894141D+00 -0.143664D+00 -0.825314D+00
      2  -0.221248D+00  0.894141D+00 -0.187406D+01  0.108471D+01 -0.113030D+01
      3   0.370693D+00 -0.143664D+00  0.108471D+01 -0.144540D+01 -0.279670D+00
                26            27            28            29            30 
      1  -0.113030D+01 -0.279670D+00  0.150774D+02 -0.463660D+01 -0.261623D+00
      2   0.124539D+01 -0.357092D+01 -0.463660D+01  0.476761D+01  0.176661D+00
      3  -0.357092D+01 -0.257162D+01 -0.261623D+00  0.176661D+00  0.154401D+01
                31            32            33            34            35 
      1  -0.888770D+01 -0.188522D+01 -0.603335D+00 -0.182412D+01 -0.120479D+01
      2  -0.188522D+01 -0.834182D+00 -0.693405D-01 -0.120479D+01 -0.603844D+00
      3  -0.603335D+00 -0.693405D-01 -0.231694D+00  0.334403D+01 -0.156227D+01
                36            37            38            39            40 
      1   0.334403D+01  0.321882D+01  0.441699D+01  0.838684D+00  0.131588D+02
      2  -0.156227D+01  0.441699D+01  0.649938D+01  0.144251D+01  0.309266D+01
      3  -0.150714D+01  0.838684D+00  0.144251D+01  0.137502D+01  0.200372D+00
                41            42            43            44            45 
      1   0.309266D+01  0.200372D+00  0.292077D+01  0.199624D+00  0.229358D+01
      2   0.551109D+01 -0.319231D+00  0.199624D+00 -0.108821D+01  0.234171D+01
      3  -0.319231D+00  0.100354D+01  0.229358D+01  0.234171D+01  0.429186D+00
                46            47            48            49            50 
      1   0.129347D+01 -0.374138D+01 -0.439319D+00  0.494859D+01 -0.494222D+00
      2  -0.374138D+01 -0.271850D+01  0.387728D+00 -0.494222D+00  0.955410D+00
      3  -0.439319D+00  0.387728D+00  0.297684D-01  0.178434D+00 -0.857477D+00
                51            52            53            54            55 
      1   0.178434D+00  0.390807D+00  0.108052D+01 -0.183946D+01 -0.419715D+01
      2  -0.857477D+00  0.108052D+01 -0.843404D+00  0.353511D+01  0.333610D+01
      3   0.143274D+01 -0.183946D+01  0.353511D+01  0.234785D+01 -0.532452D-01
                56            57            58            59            60 
      1   0.333610D+01 -0.532452D-01  0.494849D+01 -0.453626D+01  0.580066D+00
      2  -0.317630D+01  0.715700D+00 -0.453626D+01 -0.161153D+01  0.179295D+01
      3   0.715700D+00 -0.232765D+01  0.580066D+00  0.179295D+01  0.344498D+01
                61            62            63            64            65 
      1  -0.228752D+01  0.117171D+01 -0.465827D+01 -0.650180D+01 -0.209715D+01
      2   0.117171D+01  0.790298D+00  0.452640D+01 -0.209715D+01  0.172437D+01
      3  -0.465827D+01  0.452640D+01  0.190823D+01 -0.231155D+01  0.177718D+00
                66            67            68            69            70 
      1  -0.231155D+01 -0.180433D+01  0.152975D+01  0.335411D+00 -0.395696D+01
      2   0.177718D+00  0.152975D+01  0.293302D+01 -0.131077D+01 -0.896796D-01
      3   0.511872D+00  0.335411D+00 -0.131077D+01 -0.149398D+01 -0.454043D+00
                71            72            73            74            75 
      1  -0.896796D-01 -0.454043D+00 -0.263765D+01 -0.921597D+00 -0.439952D+00
      2  -0.148218D+00 -0.233783D+01 -0.921597D+00 -0.234394D+01 -0.188173D+01
      3  -0.233783D+01  0.592940D+01 -0.439952D+00 -0.188173D+01 -0.180822D+01
                76            77            78            79            80 
      1  -0.138955D+01 -0.408320D+01 -0.142410D+01 -0.218028D+01 -0.293926D+01
      2  -0.408320D+01 -0.851078D+01  0.164933D+01 -0.293926D+01  0.149628D+01
      3  -0.142410D+01  0.164933D+01 -0.123113D+01 -0.344809D+01 -0.334754D+01
                81            82            83            84            85 
      1  -0.344809D+01 -0.749113D+01 -0.461800D+01 -0.409021D+00 -0.452942D+01
      2  -0.334754D+01 -0.461800D+01 -0.347543D+01 -0.245570D+00 -0.447750D+01
      3  -0.461440D+01 -0.409021D+00 -0.245570D+00 -0.651868D+00 -0.659683D+00
                86            87            88            89            90 
      1  -0.447750D+01 -0.659683D+00 -0.312234D+00 -0.502004D+00 -0.112529D+00
      2  -0.508389D+01 -0.601171D+00 -0.502004D+00 -0.830369D+00 -0.160909D+00
      3  -0.601171D+00 -0.661030D+00 -0.112529D+00 -0.160909D+00 -0.110658D+00
                91            92            93            94            95 
      1  -0.129029D+02  0.246785D+01  0.158167D+01  0.253888D+01 -0.211322D+01
      2   0.246785D+01 -0.120618D+01 -0.293530D+00 -0.211322D+01  0.106893D+01
      3   0.158167D+01 -0.293530D+00 -0.103525D+01 -0.642493D+00  0.336830D+00
                96            97            98            99           100 
      1  -0.642493D+00  0.166146D+01 -0.628664D+00 -0.296950D+00  0.536660D+00
      2   0.336830D+00 -0.628664D+00  0.257982D+00  0.127625D+00 -0.139283D+01
      3   0.334328D+00 -0.296950D+00  0.127625D+00  0.240353D+00 -0.325721D+00
               101           102           103           104           105 
      1  -0.139283D+01 -0.325721D+00 -0.957914D+00  0.719770D+00  0.146585D+00
      2   0.131160D+01  0.430706D+00  0.719770D+00 -0.100275D+02 -0.221939D+01
      3   0.430706D+00  0.248592D+00  0.146585D+00 -0.221939D+01 -0.135183D+01
               106           107           108           109           110 
      1  -0.319818D+00  0.433051D+00  0.609580D-02 -0.143386D+01  0.195451D+01
      2   0.433051D+00 -0.237904D+01 -0.631959D+00  0.195451D+01 -0.195734D+01
      3   0.609580D-02 -0.631959D+00 -0.418802D+00  0.508709D+00 -0.519802D+00
               111           112           113           114           115 
      1   0.508709D+00  0.176876D+01 -0.296298D+01 -0.662898D+00  0.471131D+00
      2  -0.519802D+00 -0.296298D+01  0.988113D+01  0.203891D+01 -0.789725D+00
      3  -0.369166D+00 -0.662898D+00  0.203891D+01  0.129632D+01 -0.276537D+00
               116           117           118           119           120 
      1  -0.789725D+00 -0.276537D+00  0.224118D+01 -0.152545D+01 -0.149559D+01
      2   0.210416D+01  0.582992D+00 -0.152545D+01  0.111972D+01  0.448519D+00
      3   0.582992D+00  0.388818D+00 -0.149559D+01  0.448519D+00  0.146193D+01
               121           122           123           124           125 
      1  -0.343228D+01  0.243671D+01  0.103405D+01 -0.262976D+01  0.131627D+01
      2   0.243671D+01 -0.323716D+01 -0.227811D+01  0.131627D+01 -0.246398D+01
      3   0.103405D+01 -0.227811D+01 -0.299305D+01  0.276179D+01 -0.302427D+01
               126           127           128           129           130 
      1   0.276179D+01 -0.889375D+01  0.192369D+01  0.546650D+00 -0.154481D+01
      2  -0.302427D+01  0.192369D+01  0.279309D+01 -0.121603D+01  0.323194D+01
      3  -0.560151D+01  0.546650D+00 -0.121603D+01  0.211492D+01 -0.143635D+01
               131           132           133           134           135 
      1   0.323194D+01 -0.143635D+01  0.580795D+01 -0.262975D+01  0.317516D+01
      2   0.354554D+01 -0.150867D+01 -0.262975D+01 -0.466753D-01 -0.363533D+01
      3  -0.150867D+01 -0.316899D+01  0.317516D+01 -0.363533D+01 -0.178674D+01
               136           137           138           139           140 
      1   0.118078D+01  0.567921D+00 -0.994921D+00  0.537124D+00  0.396649D+00
      2   0.567921D+00 -0.137483D+00 -0.215188D+00  0.396649D+00  0.854437D+00
      3  -0.994921D+00 -0.215188D+00  0.211979D+00 -0.510867D+00 -0.128088D+01
               141           142           143           144           145 
      1  -0.510867D+00 -0.150553D+01 -0.610751D+00  0.225231D+01  0.109935D+02
      2  -0.128088D+01 -0.610751D+00 -0.189046D+01  0.250333D+01  0.213569D+01
      3   0.165435D+01  0.225231D+01  0.250333D+01 -0.880378D+01  0.958290D+00
               146           147           148           149           150 
      1   0.213569D+01  0.958290D+00  0.143531D+01  0.136540D+01  0.236397D-01
      2   0.140380D+01 -0.467789D-01  0.136540D+01  0.515283D+00  0.315576D+00
      3  -0.467789D-01  0.116329D+01  0.236397D-01  0.315576D+00  0.306343D+00
               151           152           153           154           155 
      1   0.325375D+01  0.567634D+00  0.155052D+01 -0.908068D-01  0.922520D+00
      2   0.567634D+00  0.674655D+00  0.539728D+00  0.922520D+00 -0.765788D+00
      3   0.155052D+01  0.539728D+00  0.444255D-01 -0.372709D+00  0.218374D+00
               156           157           158           159           160 
      1  -0.372709D+00  0.204962D+01  0.205364D+01 -0.220235D+00 -0.388147D+00
      2   0.218374D+00  0.205364D+01  0.110322D+02 -0.201151D+01 -0.136255D+00
      3   0.139698D+00 -0.220235D+00 -0.201151D+01  0.133431D+01  0.779279D+00
               161           162           163           164           165 
      1  -0.136255D+00  0.779279D+00  0.252578D+01  0.124886D+01  0.162469D+01
      2  -0.344407D+01  0.226627D+01  0.124886D+01  0.936962D+00  0.900947D+00
      3   0.226627D+01 -0.696472D+00  0.162469D+01  0.900947D+00  0.149922D+01
               166           167           168           169           170 
      1   0.911316D+00  0.181101D+01  0.755094D+00  0.431192D+01  0.280516D+01
      2   0.181101D+01  0.309893D+01  0.152196D+01  0.280516D+01  0.337478D+01
      3   0.755094D+00  0.152196D+01  0.125210D+01  0.303858D+01  0.360279D+01
               171           172           173           174           175 
      1   0.303858D+01  0.515269D+00  0.268633D+00  0.616519D+00  0.104795D+01
      2   0.360279D+01  0.268633D+00 -0.587704D+00  0.126039D+00 -0.428945D+00
      3   0.689214D+01  0.616519D+00  0.126039D+00 -0.976053D+00  0.483983D+00
               176           177           178           179           180 
      1  -0.428945D+00  0.483983D+00  0.903412D+00  0.352948D-01  0.405056D+00
      2   0.100711D+01  0.114681D+01  0.352948D-01  0.143894D+01  0.115804D+01
      3   0.114681D+01  0.272490D+01  0.405056D+00  0.115804D+01  0.608132D+01
               181           182           183           184           185 
      1   0.134761D+02 -0.328525D+01  0.100601D+01 -0.133529D+01  0.142108D+01
      2  -0.328525D+01  0.176041D+01 -0.415818D+00  0.142108D+01 -0.124664D+01
      3   0.100601D+01 -0.415818D+00  0.127470D+01  0.100840D+00  0.216526D+00
               186           187           188           189           190 
      1   0.100840D+00 -0.152190D+01  0.548766D+00  0.959002D+00 -0.205444D+00
      2   0.216526D+00  0.548766D+00 -0.435515D+00  0.639123D-01 -0.103701D+01
      3   0.187278D+00  0.959002D+00  0.639123D-01  0.350966D-01  0.458202D-01
               191           192           193           194           195 
      1  -0.103701D+01  0.458202D-01 -0.142580D+01 -0.328481D+00  0.176724D-01
      2  -0.218989D+01  0.816585D+00 -0.328481D+00 -0.777133D+01  0.201719D+01
      3   0.816585D+00 -0.100317D+01  0.176724D-01  0.201719D+01 -0.130678D+01
               196           197           198 
      1  -0.384807D+00  0.283852D+00 -0.303473D+00
      2   0.283852D+00  0.113955D+01 -0.101150D+01
      3  -0.303473D+00 -0.101150D+01  0.104007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201276D+01  0.561505D+00 -0.280405D+01  0.272783D+01 -0.590961D+00
      2   0.239300D+01  0.175020D+01  0.393818D+01 -0.268545D+01 -0.242187D+01
      3  -0.699759D+01 -0.103016D+02 -0.124768D+01  0.875117D+01 -0.312442D+01
                 6             7             8             9            10 
      1  -0.809708D+00 -0.794461D+01  0.528870D+01  0.206244D+01  0.600111D+00
      2   0.426909D+01 -0.708089D+00  0.108800D+02  0.306290D+01 -0.978681D+00
      3   0.102752D+01  0.264252D+01  0.345340D+01 -0.476646D+01  0.528634D+01
                11            12            13            14            15 
      1   0.591008D+00  0.130396D+01 -0.232959D+00 -0.264651D+01  0.887091D+00
      2   0.192339D+00  0.572223D+01 -0.378622D+01  0.571307D+00 -0.146945D+01
      3  -0.849203D+01 -0.562387D+00  0.116313D+02  0.382010D+01 -0.145705D+01
                16            17            18            19            20 
      1   0.435440D+01  0.112191D+02  0.216428D+01  0.756826D+00 -0.975056D+00
      2   0.743735D+01 -0.521047D+01 -0.376887D+01 -0.478535D+01  0.312630D+01
      3   0.381119D+01 -0.148980D+01  0.217753D+01  0.941049D+01 -0.714889D+01
                21            22            23            24            25 
      1   0.180091D+01 -0.745104D+00  0.100125D+01 -0.285775D+01  0.369660D+01
      2  -0.495348D+00  0.181255D+01  0.603873D+00  0.191959D+01 -0.139911D+02
      3  -0.344444D+01  0.591504D+01 -0.730836D+01  0.187649D+00 -0.358429D+01
                26            27            28            29            30 
      1   0.948044D-01 -0.996429D+00  0.400853D+00  0.131458D+00  0.167346D+01
      2   0.327249D+01  0.363759D+01  0.257152D+01 -0.382342D+01 -0.184087D+01
      3   0.130011D+01 -0.580349D+01 -0.572189D+01  0.134475D+02  0.191788D+01
                31            32            33            34            35 
      1   0.310441D+00 -0.329538D+01 -0.101802D+01  0.410927D+01  0.987679D+01
      2  -0.204361D+01  0.101776D+01  0.234553D+00 -0.143383D+02 -0.381346D+00
      3   0.120401D+02 -0.110980D+02  0.121303D+01 -0.549409D+00 -0.174549D+01
                36            37            38            39            40 
      1   0.410464D+00 -0.217702D+01 -0.471452D+00 -0.100175D+01  0.646517D+00
      2   0.638666D+00 -0.801020D-01  0.185163D+00 -0.123121D+01  0.389192D+01
      3  -0.257332D+01 -0.254460D+01  0.951746D+01  0.265669D+01  0.122578D+02
                41            42            43            44            45 
      1  -0.797407D+00 -0.732410D+00 -0.468765D+01  0.793476D+01  0.185274D+01
      2  -0.310239D+01 -0.131275D+01 -0.138623D+02 -0.877453D+00  0.594530D+00
      3   0.201438D+02  0.156407D+01 -0.845744D+00  0.325668D+01  0.487120D+01
                46            47            48            49            50 
      1   0.957885D+00 -0.107227D+01 -0.636087D+00 -0.558540D+00 -0.872928D-01
      2   0.579778D+00  0.180262D+01  0.226155D+00  0.244279D+01  0.218167D+01
      3  -0.482445D+01 -0.154024D+02 -0.214185D+01  0.271016D+00  0.316183D+01
                51            52            53            54            55 
      1  -0.246931D+01  0.290694D+01  0.461264D+00 -0.834636D+00 -0.190335D+01
      2  -0.376330D+01 -0.110923D+02 -0.891380D+01 -0.371677D+01 -0.707434D+00
      3  -0.152544D+01 -0.228383D+01 -0.226988D+01  0.548216D+01 -0.159768D+00
                56            57            58            59            60 
      1   0.573308D+00 -0.281039D+01  0.996650D-01  0.459605D+01  0.254014D+00
      2   0.317551D+01 -0.812720D+00  0.401169D+01  0.390362D+00  0.648383D+01
      3  -0.449360D+01  0.801492D+00  0.100513D+02  0.125276D+02 -0.515014D+01
                61            62            63            64            65 
      1  -0.653797D+01  0.733693D+01  0.607708D+00  0.431928D+01 -0.207483D+01
      2  -0.155354D+02  0.979283D+01  0.153717D+01 -0.126818D+02 -0.913675D+00
      3   0.243124D+01 -0.580426D+01 -0.459594D+01  0.945689D-02 -0.108849D+02
                66            67            68            69            70 
      1  -0.564957D+00 -0.722846D+00 -0.239285D+01  0.111065D+01  0.114958D+01
      2   0.132712D+01  0.359500D+00 -0.494625D+00 -0.403504D+01 -0.931754D+01
      3  -0.360124D+01 -0.673553D+01 -0.737997D+01  0.497756D+01 -0.658801D+01
                71            72            73            74            75 
      1   0.559506D+01 -0.460983D+01  0.181828D+01  0.510737D+01  0.379179D+01
      2  -0.728182D+01  0.130836D+02  0.163333D+00 -0.148894D+01 -0.823722D-02
      3   0.358913D+01  0.534080D+01 -0.501381D+01 -0.431598D+01  0.897296D+00
                76            77            78            79            80 
      1   0.188187D+01 -0.874463D+01  0.888441D+00  0.109240D+02  0.136144D+02
      2  -0.172389D+01  0.300390D+01 -0.185581D-01 -0.837991D+01 -0.282602D+01
      3   0.113660D+02 -0.951974D+00 -0.771329D+01 -0.803018D+00 -0.138316D+02
                81            82            83            84            85 
      1   0.100612D+02  0.249096D+00  0.484271D+00 -0.234082D+01 -0.401257D+00
      2  -0.357452D+01 -0.458096D+00 -0.427010D+00  0.364092D+01  0.886817D+00
      3  -0.566833D+01 -0.190250D+01 -0.539798D+01  0.570637D-01 -0.426004D+01
                86            87            88            89            90 
      1  -0.253010D-01 -0.254786D+01  0.112907D+01  0.115853D+01 -0.200263D+00
      2   0.909707D+00  0.317009D+01 -0.119099D+01 -0.831515D+00  0.169222D+00
      3  -0.909073D+01 -0.755792D+00 -0.987427D+00 -0.151711D+01 -0.243270D-01
                91            92            93            94            95 
      1  -0.192151D+00 -0.575949D+00  0.117422D+01 -0.521555D-01  0.199700D+00
      2  -0.188181D+01  0.316540D+00  0.599939D+01  0.156714D+01 -0.751282D+00
      3   0.204040D+01 -0.537219D+01 -0.220026D+00 -0.423171D+01  0.293591D+01
                96            97            98            99           100 
      1  -0.635754D+00 -0.810188D+00  0.461717D+00 -0.133537D+00  0.299681D+00
      2  -0.173462D+01 -0.178986D+01  0.415393D+00 -0.675452D+00  0.722904D+00
      3   0.721182D+00 -0.183522D+01  0.144537D+01  0.200798D+00 -0.388141D+01
               101           102           103           104           105 
      1   0.617588D-01  0.988347D+00 -0.268554D+00  0.847174D+00 -0.458911D+01
      2  -0.997163D+00 -0.105558D+00 -0.130586D+01  0.246936D+01  0.783864D+00
      3   0.418992D+01  0.105727D+01  0.609646D+01 -0.128331D+02 -0.295891D+01
               106           107           108           109           110 
      1  -0.339098D+00  0.208717D+01 -0.749020D+00 -0.222435D+00  0.157869D+00
      2  -0.113229D+01  0.670428D+00  0.334942D-01 -0.406054D+00  0.415117D+00
      3   0.146725D+01 -0.341617D+01 -0.440129D+00  0.880577D+00 -0.914382D+00
               111           112           113           114           115 
      1   0.110810D+01  0.131695D+00  0.672143D+00 -0.452500D+01 -0.352023D+00
      2   0.976581D+00  0.143777D+00 -0.323938D+01 -0.283913D+01 -0.621699D+00
      3  -0.266395D+00  0.445602D+00  0.148770D+02  0.297436D+01 -0.158143D+00
               116           117           118           119           120 
      1   0.183970D+01 -0.755421D+00 -0.848473D+00 -0.522483D+00  0.147715D+01
      2  -0.101054D+00 -0.460111D+00 -0.105724D+01  0.326809D+00  0.277880D+01
      3   0.330488D+01  0.322357D+00  0.131771D+01 -0.311435D+01  0.220711D+00
               121           122           123           124           125 
      1   0.340052D+00  0.492488D+00 -0.281452D+01  0.230874D+01  0.783149D+00
      2  -0.993576D-01 -0.264324D+01 -0.534792D+01  0.167482D+01 -0.421340D+01
      3   0.787951D+00  0.340881D+01  0.386319D+01  0.100359D+01  0.483863D+01
               126           127           128           129           130 
      1  -0.389095D+01  0.298691D+01  0.210961D+01  0.281464D+01 -0.171417D+01
      2  -0.842328D+01  0.117283D+02 -0.668448D+01  0.802394D+01 -0.670263D+01
      3   0.394639D+01  0.986024D+01 -0.139805D+02  0.175623D+01 -0.568628D+01
               131           132           133           134           135 
      1   0.397563D+01 -0.113918D+02  0.278719D+01 -0.610767D+01 -0.662931D+01
      2  -0.576567D+01 -0.744899D+01  0.563026D+01 -0.801848D+01 -0.614674D+01
      3  -0.179417D+02  0.735847D+01 -0.283899D+00  0.740319D+01  0.484507D+01
               136           137           138           139           140 
      1   0.944772D-01  0.705025D+00 -0.324459D-01  0.791740D+00  0.458318D-01
      2  -0.490430D+00 -0.135307D+00  0.881273D+00 -0.420763D+00 -0.263991D+01
      3  -0.703019D+00  0.711528D+00 -0.241022D+00  0.290753D+01 -0.114267D+01
               141           142           143           144           145 
      1  -0.121480D+01 -0.137595D+01  0.204854D+01  0.668136D+01 -0.240994D+01
      2   0.340469D+01  0.944267D+00  0.467237D+01 -0.183955D+02  0.920069D+01
      3   0.253163D+01 -0.897174D+00  0.498236D+01 -0.270466D+01  0.674616D+01
               146           147           148           149           150 
      1  -0.815244D+00 -0.158836D+01 -0.830144D+00 -0.471094D+00 -0.131299D+01
      2   0.123598D+01  0.625100D+01  0.101893D+01  0.163993D+01  0.106734D+01
      3  -0.533244D+01  0.119298D+01 -0.833908D+00  0.261074D+00 -0.131682D+01
               151           152           153           154           155 
      1  -0.179629D+01 -0.954619D-01 -0.808283D+00  0.449858D+00 -0.947877D+00
      2   0.451661D+01  0.154674D+01  0.175353D+01  0.237866D+00  0.645055D+00
      3   0.243232D+01 -0.276031D+01  0.237231D+00 -0.144685D+01  0.271919D+00
               156           157           158           159           160 
      1  -0.140955D-01  0.204577D+01  0.655245D+01 -0.584588D+01 -0.212775D+01
      2   0.106936D+01 -0.616650D+00 -0.246670D+01  0.135005D+01  0.295063D+00
      3  -0.140837D+01  0.460917D+01 -0.885110D+01  0.237163D+01 -0.204314D+01
               161           162           163           164           165 
      1  -0.456130D+01  0.237409D+01 -0.337622D+01 -0.125304D+01 -0.354584D+01
      2   0.158651D+01 -0.847351D+00 -0.497237D+00  0.676604D+00  0.240151D+01
      3   0.497301D+01 -0.933458D+00  0.634361D+01  0.376698D+00  0.239273D+01
               166           167           168           169           170 
      1  -0.139541D+01 -0.172670D+01 -0.322257D+01 -0.716300D+01 -0.558904D+01
      2   0.649031D+00  0.107476D+01  0.150850D+01  0.130474D+01  0.309557D+01
      3  -0.370152D+00 -0.995878D-01  0.115405D+00  0.705657D+01  0.230399D+01
               171           172           173           174           175 
      1  -0.157507D+02  0.135102D+01 -0.146159D+01 -0.136275D+01 -0.626204D+00
      2   0.661432D+01  0.168312D+01 -0.263099D+00 -0.218219D+01 -0.923148D+00
      3   0.253923D+01 -0.102307D+01  0.837481D+00 -0.715154D+00  0.114436D+01
               176           177           178           179           180 
      1   0.506267D+01  0.470127D+01 -0.151561D+00  0.659735D+01  0.105567D+02
      2   0.359179D+01  0.644643D+01 -0.295498D+01  0.368933D+01  0.141791D+02
      3  -0.266487D+01 -0.356274D+01 -0.628900D+00 -0.420882D+01 -0.372336D+01
               181           182           183           184           185 
      1   0.198694D+00  0.101998D+01  0.241710D+01  0.935684D+00 -0.571076D+00
      2  -0.786933D+01  0.907434D+00  0.593137D+01  0.136749D+01 -0.852532D-01
      3  -0.139520D+02 -0.305640D+01 -0.216531D+00 -0.130670D-01  0.170904D+01
               186           187           188           189           190 
      1  -0.223569D+00  0.122291D+01  0.100672D+01  0.168437D+00 -0.134062D+01
      2   0.165882D+00  0.145320D+01  0.385827D+00 -0.585739D+00  0.144612D+01
      3  -0.514746D+00  0.585662D+00 -0.224234D+00 -0.192675D+01  0.543156D+01
               191           192           193           194           195 
      1  -0.133336D+01 -0.184814D+01 -0.119709D+01 -0.480157D+01 -0.267544D+01
      2   0.268280D+01 -0.144669D+01  0.215595D+01  0.615591D+01 -0.283416D+01
      3   0.694185D+01 -0.158747D+01  0.707673D+01  0.204872D+02 -0.511887D+01
               196           197           198 
      1  -0.458210D+00  0.862027D+00  0.112114D+01
      2  -0.156232D+01 -0.219807D+01  0.245833D+01
      3   0.578537D-01 -0.358305D+01  0.319745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.310169D+01 -0.210209D+02 -0.327559D+01  0.268283D+02  0.691891D-01
      2  -0.197109D+01  0.147921D+02 -0.330288D+00 -0.257632D+02 -0.404690D+01
      3   0.507278D+01  0.622876D+01  0.360588D+01 -0.106508D+01  0.397771D+01
      4  -0.209046D+02  0.935823D+01  0.484647D+01  0.541429D+00 -0.163203D+02
      5   0.969190D+00  0.300653D+01  0.881087D+01 -0.693187D+01 -0.770152D+01
      6   0.219296D+01  0.313947D+01  0.669833D+01 -0.754143D+01 -0.413677D+01
                 6             7             8             9            10 
      1  -0.153957D+01  0.109207D+02  0.352584D+01  0.681799D+01 -0.125364D+02
      2   0.238491D+01 -0.121135D+02 -0.558644D+01 -0.106913D+02  0.826548D+01
      3  -0.845343D+00  0.119277D+01  0.206059D+01  0.387333D+01  0.427094D+01
      4  -0.970451D+01 -0.148087D+01 -0.103073D+02  0.134446D+02  0.835074D+01
      5   0.883615D+01  0.257437D+02  0.158997D+02  0.617864D+01  0.696578D+01
      6   0.265374D+01  0.881820D+01  0.107037D+02 -0.302357D+01  0.740571D+00
                11            12            13            14            15 
      1   0.672964D+01  0.726859D+01 -0.197785D+02 -0.192460D+02 -0.650926D+01
      2  -0.413787D+01 -0.338656D+01  0.166991D+02  0.175369D+02  0.747314D+01
      3  -0.259177D+01 -0.388202D+01  0.307935D+01  0.170911D+01 -0.963874D+00
      4   0.221835D+02  0.320784D+00 -0.190901D+02  0.125132D+02  0.761077D+01
      5   0.159307D+00  0.125929D+02 -0.113464D+02  0.514371D+01 -0.287188D+01
      6  -0.551150D+00 -0.303863D+01  0.641908D+01  0.343312D+01 -0.153871D+01
                16            17            18            19            20 
      1   0.471726D+01 -0.955448D+01  0.135268D+02  0.978792D+01  0.337580D+01
      2   0.182717D+01  0.712908D+01 -0.177783D+02 -0.802656D+01 -0.581819D+01
      3  -0.654443D+01  0.242540D+01  0.425149D+01 -0.176136D+01  0.244239D+01
      4  -0.135331D+02  0.371563D+01 -0.369560D+01  0.100530D+02 -0.218424D+02
      5   0.337264D+02 -0.591151D+01 -0.776189D+01 -0.115508D+01 -0.170227D+01
      6  -0.203263D+01  0.500996D+01 -0.299372D+01 -0.883639D+00  0.122003D+01
                21            22            23            24            25 
      1  -0.158818D+01  0.601902D+01  0.118365D+02  0.590827D+01 -0.185380D+01
      2   0.129151D+01  0.847887D+00 -0.170124D+02 -0.851552D+01  0.230383D+01
      3   0.296670D+00 -0.686691D+01  0.517595D+01  0.260725D+01 -0.450022D+00
      4  -0.389004D+01  0.178487D+02  0.979361D+01  0.164412D+00  0.105749D+01
      5  -0.370418D+01  0.456661D+00  0.712145D+00  0.217136D+01  0.156935D+01
      6  -0.345913D+01  0.324022D+01 -0.130325D+02  0.355252D+01  0.221167D-01
                26            27            28            29            30 
      1   0.469374D+01 -0.145389D+02 -0.216162D+02  0.903370D+01  0.237583D+01
      2  -0.116207D+02  0.197928D+01  0.127853D+02 -0.525276D+01 -0.462326D+00
      3   0.692691D+01  0.125596D+02  0.883088D+01 -0.378093D+01 -0.191351D+01
      4   0.285860D+01  0.929551D+01 -0.132386D+02  0.112593D+02  0.269903D+00
      5   0.812507D+01  0.745576D+01  0.442846D+01 -0.174218D+01 -0.848485D+00
      6   0.148753D+02  0.614726D+01 -0.355900D+01 -0.784098D-01 -0.242737D+01
                31            32            33            34            35 
      1  -0.208262D+01 -0.218517D+01  0.543743D-01  0.801919D+01 -0.104617D+01
      2   0.736509D+01  0.769502D+01  0.189796D+01 -0.995926D+00 -0.945203D-01
      3  -0.528247D+01 -0.550985D+01 -0.195233D+01 -0.702326D+01  0.114069D+01
      4  -0.469668D+01  0.783796D+01  0.112068D+01 -0.456436D+01  0.120305D+01
      5  -0.284107D+01 -0.444071D+00 -0.937166D+00  0.402522D+01 -0.938250D+00
      6   0.534797D+01  0.243555D+01  0.191751D+01 -0.188000D+01  0.592474D+01
                36            37            38            39            40 
      1  -0.953052D+01 -0.166035D+02 -0.250738D+02 -0.481570D+01 -0.714950D+01
      2  -0.366392D+01  0.124486D+02  0.187678D+02  0.311071D+01 -0.246223D+01
      3   0.131944D+02  0.415485D+01  0.630606D+01  0.170499D+01  0.961173D+01
      4  -0.357709D+01 -0.353575D+01 -0.351627D+01  0.208013D+01  0.348438D+01
      5   0.943010D+00 -0.558843D+00  0.237517D+01 -0.339463D+00  0.475298D+01
      6  -0.107673D+01  0.649145D+01  0.427364D+01  0.206662D+01 -0.637689D+01
                41            42            43            44            45 
      1  -0.974658D+01  0.255635D+01 -0.191517D+00  0.584541D+01 -0.101060D+02
      2   0.100380D+02  0.401902D+00 -0.148843D+01 -0.393341D+01  0.544619D+00
      3  -0.291464D+00 -0.295825D+01  0.167995D+01 -0.191199D+01  0.956141D+01
      4  -0.575053D+01 -0.229619D+01  0.161091D+01 -0.671969D+00 -0.102320D+01
      5  -0.181870D+01 -0.125221D+01  0.444111D+01 -0.251400D+01  0.941394D+00
      6   0.175514D+00  0.267486D+01  0.109142D+01  0.799155D+01 -0.200077D+01
                46            47            48            49            50 
      1   0.157796D+02  0.163611D+02 -0.675846D+00 -0.188619D+02  0.148354D+02
      2  -0.143194D+02 -0.113699D+02 -0.542265D+00  0.154874D+02 -0.206057D+02
      3  -0.146019D+01 -0.499118D+01  0.121811D+01  0.337445D+01  0.577027D+01
      4   0.433040D+01 -0.158441D+02 -0.599216D+01  0.112331D+02 -0.212981D+00
      5   0.346231D+01 -0.523759D+01 -0.273108D+01  0.141870D+01  0.436819D+01
      6  -0.710420D+01  0.200334D+01  0.165558D+00  0.354073D+01 -0.113059D+02
                51            52            53            54            55 
      1   0.448329D+01 -0.590710D+01 -0.823771D+00 -0.733261D+01  0.204167D+02
      2  -0.706365D+01  0.789909D+01 -0.815678D+01 -0.305786D+01 -0.980634D+01
      3   0.258035D+01 -0.199199D+01  0.898056D+01  0.103905D+02 -0.106103D+02
      4   0.463916D+01 -0.245562D+01  0.106829D+02 -0.144702D+02  0.121037D+02
      5  -0.677812D+01  0.814553D+01 -0.136803D+02 -0.760939D+01 -0.139318D+01
      6   0.346838D+01 -0.526685D+01  0.135146D+02  0.354222D+01  0.313058D+01
                56            57            58            59            60 
      1  -0.539293D+01  0.309877D+01 -0.457351D+01 -0.537787D+01  0.434313D+01
      2   0.284324D+01 -0.171939D+01 -0.382938D+00  0.482848D+01 -0.392931D+01
      3   0.254969D+01 -0.137937D+01  0.495645D+01  0.549385D+00 -0.413820D+00
      4  -0.124929D+02  0.265805D+01 -0.243610D+02 -0.544318D+01  0.625790D+01
      5   0.326197D+01 -0.102360D+02  0.490120D+01  0.766031D+01  0.152807D+02
      6  -0.138141D+01  0.783554D+01  0.284135D+01 -0.455981D+01 -0.130135D+02
                61            62            63            64            65 
      1  -0.539436D+01  0.626372D+01  0.219479D+01 -0.346726D+02 -0.123338D+02
      2  -0.462815D+00  0.300392D+00 -0.140885D+01  0.110321D+02  0.905530D+01
      3   0.585717D+01 -0.656412D+01 -0.785945D+00  0.236405D+02  0.327852D+01
      4   0.105971D+02 -0.197713D+00  0.233209D+02 -0.162827D+02  0.572676D+00
      5  -0.239634D+02  0.210068D+02  0.664995D+01 -0.111845D+02 -0.984729D-01
      6   0.187200D+02 -0.159432D+02 -0.959518D+01 -0.391878D+01  0.285530D+00
                66            67            68            69            70 
      1  -0.115143D+02 -0.102288D+02  0.642479D+01 -0.149275D-02 -0.211459D+02
      2   0.708089D+01  0.920093D+01  0.913978D+00 -0.618337D+01  0.890187D+01
      3   0.443343D+01  0.102786D+01 -0.733877D+01  0.618486D+01  0.122440D+02
      4  -0.320021D+01  0.431185D+01  0.135666D+02 -0.382448D+01 -0.682858D+01
      5   0.257381D+01  0.217426D+01 -0.631516D+01 -0.657297D+01 -0.166364D+01
      6   0.574835D-01 -0.202492D+01 -0.215608D+01 -0.333861D+01 -0.334259D+01
                71            72            73            74            75 
      1  -0.217501D+01  0.622090D+01  0.431641D+01  0.114066D+02  0.842323D+01
      2  -0.874105D+01  0.122659D+02  0.328461D+01 -0.460947D+01 -0.690007D+01
      3   0.109161D+02 -0.184868D+02 -0.760102D+01 -0.679711D+01 -0.152316D+01
      4   0.164959D+01 -0.115258D+02  0.248133D+01  0.712814D+00 -0.289571D+01
      5  -0.103972D+02  0.248267D+02  0.120076D-01 -0.473495D+01 -0.690471D+01
      6  -0.121796D+01  0.173644D+02 -0.410939D+01 -0.840470D+01 -0.721880D+01
                76            77            78            79            80 
      1   0.207954D+02  0.278881D+02 -0.778008D+01  0.141139D+02 -0.650305D+01
      2  -0.183106D+02 -0.407326D+02  0.138203D+02 -0.634153D+01  0.195598D+02
      3  -0.248479D+01  0.128445D+02 -0.604022D+01 -0.777241D+01 -0.130568D+02
      4  -0.339533D+01 -0.110044D+02  0.152182D+01 -0.699269D+01 -0.216009D+01
      5  -0.698309D+01  0.236075D+01 -0.237019D+01 -0.117714D+02 -0.956497D+01
      6  -0.310269D+01  0.127652D+02 -0.622934D+01 -0.165808D+02 -0.184017D+02
                81            82            83            84            85 
      1   0.123532D+02  0.396353D+02  0.210715D+02  0.235036D+01  0.161551D+02
      2  -0.728239D+01 -0.132206D+02 -0.371032D+01 -0.107131D+01  0.205066D+01
      3  -0.507081D+01 -0.264147D+02 -0.173612D+02 -0.127905D+01 -0.182058D+02
      4  -0.108531D+02  0.433460D+02  0.326504D+02  0.243599D+01  0.372959D+02
      5  -0.152858D+02  0.514922D+01  0.271577D+01  0.688155D+01  0.542356D+01
      6  -0.197389D+02  0.645825D+00  0.525746D+00  0.316653D+01  0.241973D+01
                86            87            88            89            90 
      1   0.108733D+02  0.161086D+01  0.221434D+00  0.446812D+00  0.665206D+00
      2   0.779793D+01 -0.480986D+00  0.110343D+01  0.104482D+01  0.231468D+00
      3  -0.186712D+02 -0.112988D+01 -0.132486D+01 -0.149164D+01 -0.896675D+00
      4   0.389070D+02  0.427154D+01  0.413179D+01  0.447110D+01  0.308094D+01
      5   0.499610D+01  0.509301D+01  0.278248D+01  0.197683D+01  0.870009D+00
      6   0.229853D+01  0.441668D+01  0.177633D+01  0.215477D+01  0.116491D+01
                91            92            93            94            95 
      1   0.933033D+02 -0.167359D+02 -0.983981D+01 -0.151234D+02  0.114239D+02
      2  -0.527310D+02  0.845913D+01  0.672490D+01  0.661659D+01 -0.490652D+01
      3  -0.405723D+02  0.827674D+01  0.311492D+01  0.850685D+01 -0.651739D+01
      4  -0.266290D+02  0.129929D+02  0.283314D+01  0.200514D+02 -0.951348D+01
      5  -0.150592D+02  0.268601D+01  0.110834D+02  0.524657D+01 -0.293022D+01
      6   0.207879D-01 -0.631338D+00 -0.132358D+01 -0.169413D+01  0.615735D+00
                96            97            98            99           100 
      1   0.285172D+01 -0.114855D+02  0.355097D+01  0.397274D+01 -0.423231D+01
      2  -0.201268D+01  0.662512D+01 -0.201717D+01 -0.269030D+01  0.577784D+01
      3  -0.839033D+00  0.486036D+01 -0.153380D+01 -0.128244D+01 -0.154553D+01
      4  -0.277703D+01  0.596177D+01 -0.293327D+01 -0.220232D+01 -0.132420D+00
      5  -0.283040D+01  0.537547D+01 -0.127823D+01 -0.272387D+01  0.128286D+00
      6   0.205898D+01 -0.905130D+00  0.113471D+01  0.721889D+00  0.215291D+01
               101           102           103           104           105 
      1   0.717337D+01  0.241955D+01  0.400641D+01 -0.396177D+02 -0.928739D+01
      2  -0.731517D+01 -0.175525D+01 -0.403092D+01  0.539131D+02  0.947898D+01
      3   0.141805D+00 -0.664299D+00  0.245067D-01 -0.142954D+02 -0.191596D+00
      4   0.750774D+01  0.127096D+01  0.552031D+01  0.114476D+02  0.295514D+01
      5   0.103149D+01  0.142698D+01  0.990506D+00  0.376351D+01  0.200287D+01
      6  -0.302028D+01 -0.157432D+01 -0.889766D+00  0.164413D+02  0.102200D+02
               106           107           108           109           110 
      1   0.110644D+01 -0.924886D+01 -0.402494D+01  0.176889D+01 -0.280997D+01
      2  -0.112373D+01  0.110341D+02  0.404546D+01  0.357478D+01 -0.340840D+01
      3   0.172855D-01 -0.178522D+01 -0.205183D-01 -0.534367D+01  0.621837D+01
      4   0.123265D+01  0.200804D+01 -0.585726D+00 -0.127975D+02  0.170634D+02
      5   0.839632D+00  0.418375D+00 -0.118249D+00 -0.293874D+01  0.369676D+01
      6  -0.342375D+00  0.642617D+01  0.400628D+01  0.261614D+01 -0.287610D+01
               111           112           113           114           115 
      1  -0.462769D+00  0.251927D+01 -0.240222D+02 -0.509396D+01  0.134277D+00
      2  -0.236306D+00 -0.984299D+01  0.430737D+02  0.629819D+01 -0.166425D+01
      3   0.699076D+00  0.732371D+01 -0.190515D+02 -0.120423D+01  0.152997D+01
      4   0.391231D+01  0.189277D+02 -0.425058D+02 -0.867472D+01  0.478307D+01
      5   0.345888D+01  0.378491D+01 -0.779619D+01 -0.535148D+01  0.162933D+01
      6  -0.213346D+01 -0.429416D+01  0.135295D+02  0.936787D+01 -0.178856D+01
               116           117           118           119           120 
      1  -0.427350D+01 -0.318250D+01  0.437092D+01 -0.190541D+01 -0.325339D+01
      2   0.720334D+01  0.358083D+01 -0.366125D+01  0.108885D+01  0.271213D+01
      3  -0.292984D+01 -0.398331D+00 -0.709678D+00  0.816566D+00  0.541264D+00
      4  -0.982031D+01 -0.284258D+01 -0.875392D+01  0.961299D+01  0.464954D+01
      5  -0.254802D+01 -0.168436D+01 -0.864770D+01  0.409411D+01  0.112556D+02
      6   0.592125D+01  0.378266D+01  0.568494D+01 -0.277792D+01 -0.439908D+01
               121           122           123           124           125 
      1   0.890313D+00 -0.592162D+01 -0.569619D+01 -0.642730D+00 -0.567289D+01
      2  -0.959092D+00  0.581565D+01  0.295949D+01  0.391563D+01  0.341063D+00
      3   0.687792D-01  0.105972D+00  0.273670D+01 -0.327290D+01  0.533183D+01
      4   0.143809D+02 -0.144888D+02 -0.970168D+01  0.824165D+01 -0.103691D+02
      5   0.623405D+01 -0.975135D+01 -0.126342D+02  0.165714D+02 -0.127283D+02
      6  -0.602794D+01  0.128017D+02  0.148096D+02 -0.992410D+01  0.145502D+02
               126           127           128           129           130 
      1  -0.978537D+01 -0.557519D+02  0.226197D+02 -0.497216D+01  0.130410D+02
      2  -0.577971D+01  0.220039D+02 -0.194737D+02  0.786650D+00 -0.103502D+02
      3   0.155651D+02  0.337481D+02 -0.314607D+01  0.418551D+01 -0.269072D+01
      4  -0.131719D+02  0.293530D+02  0.593990D+01 -0.447129D+01  0.124966D+02
      5  -0.232744D+02 -0.684279D+01 -0.144505D+01  0.102315D+02 -0.528253D+01
      6   0.199596D+02 -0.157894D+01  0.764041D+01 -0.540227D+01  0.680820D+01
               131           132           133           134           135 
      1   0.233130D+02 -0.127859D+01  0.354977D+01 -0.258622D+01  0.764908D+01
      2  -0.251365D+02  0.157986D+02 -0.343064D+01  0.121955D+02  0.786752D+01
      3   0.182346D+01 -0.145200D+02 -0.119127D+00 -0.960925D+01 -0.155166D+02
      4   0.540375D+01 -0.462346D+01 -0.159302D+02  0.159704D+01 -0.219992D+02
      5  -0.661035D+00 -0.146895D+02  0.188351D+02 -0.185511D+02 -0.354165D+01
      6   0.923763D+01  0.495323D+01 -0.129098D+02  0.783534D+01 -0.416732D+01
               136           137           138           139           140 
      1   0.460868D+01  0.349096D+01 -0.424597D+01  0.144798D+01 -0.510923D+01
      2  -0.470055D+01 -0.229924D+01  0.256163D+01 -0.125491D+01  0.113499D+01
      3   0.918684D-01 -0.119172D+01  0.168434D+01 -0.193074D+00  0.397424D+01
      4   0.409660D+01  0.156270D+01 -0.306313D+01  0.434287D+01  0.375763D+01
      5  -0.532889D+01 -0.254125D+01  0.667273D+01 -0.334443D+01 -0.539652D+01
      6  -0.280784D+01 -0.442054D+00 -0.789089D-02 -0.232510D+01 -0.636584D+01
               141           142           143           144           145 
      1   0.354159D+01 -0.334424D+01  0.448170D+01 -0.137166D+02  0.665865D+02
      2  -0.234441D+00  0.807371D+01  0.220978D+01 -0.200125D+02 -0.321255D+02
      3  -0.330714D+01 -0.472947D+01 -0.669148D+01  0.337291D+02 -0.344610D+02
      4  -0.633423D+01 -0.609459D+01 -0.935977D+01  0.122945D+02  0.264450D+02
      5   0.678778D+01  0.155649D+02  0.111063D+02 -0.380220D+02  0.220935D+01
      6   0.109016D+02  0.633663D+01  0.103725D+02 -0.224150D+02  0.870131D+00
               146           147           148           149           150 
      1   0.101652D+02  0.623639D+01  0.568583D+01  0.605986D+01  0.163152D+00
      2  -0.313765D+01 -0.217606D+01 -0.196177D+00 -0.608115D+00  0.129489D+01
      3  -0.702758D+01 -0.406033D+01 -0.548965D+01 -0.545174D+01 -0.145804D+01
      4   0.143793D+02  0.141192D+01  0.129750D+02  0.551877D+01  0.200942D+01
      5  -0.500274D+00  0.887268D+01 -0.141077D+00  0.166045D+01  0.157408D+01
      6  -0.222300D+00  0.251630D+01 -0.234503D+00  0.902606D+00  0.204300D+01
               151           152           153           154           155 
      1   0.153350D+02  0.219982D+01  0.617004D+01 -0.632974D+00  0.497394D+01
      2  -0.726967D+01  0.103742D+01 -0.525831D+01  0.355470D+01 -0.558053D+01
      3  -0.806536D+01 -0.323724D+01 -0.911729D+00 -0.292172D+01  0.606586D+00
      4   0.679401D+01  0.464356D+01  0.448257D+01  0.143588D+01  0.812518D+01
      5   0.108252D+02  0.306913D+01  0.218883D+01 -0.630494D+00 -0.669979D+00
      6   0.292904D+01  0.198128D+01 -0.322977D+00 -0.269472D+01  0.138341D+01
               156           157           158           159           160 
      1  -0.226346D+01 -0.491728D+01 -0.411685D+02  0.783085D+01 -0.102568D+01
      2   0.165905D+01  0.862649D+01  0.662139D+02 -0.120432D+02 -0.162528D+01
      3   0.604413D+00 -0.370921D+01 -0.250454D+02  0.421233D+01  0.265096D+01
      4  -0.176484D+01  0.999780D+01  0.184402D+02 -0.306910D+01 -0.334232D+01
      5   0.274580D+01 -0.147359D+01 -0.281237D+01  0.265900D+01  0.382016D+01
      6   0.495850D-01 -0.247090D+01 -0.164870D+02  0.105308D+02  0.465237D+01
               161           162           163           164           165 
      1   0.134933D+02 -0.894138D+01  0.176582D+01 -0.112621D+01 -0.146347D+00
      2  -0.202903D+02  0.950246D+01 -0.350834D+01  0.131405D+01  0.933595D-01
      3   0.679701D+01 -0.561084D+00  0.174252D+01 -0.187849D+00  0.529871D-01
      4  -0.570050D+01  0.414927D+01  0.761873D+01  0.687571D+01  0.652446D+01
      5   0.424548D+01 -0.212046D+00  0.736130D+01  0.506462D+01  0.100796D+02
      6   0.161305D+02 -0.647374D+01  0.706418D+01  0.462748D+01  0.669044D+01
               166           167           168           169           170 
      1  -0.488538D+01 -0.116751D+02 -0.510415D+01 -0.497661D+01 -0.117890D+02
      2   0.633019D+01  0.134499D+02  0.428097D+01  0.317541D+00  0.678768D+01
      3  -0.144481D+01 -0.177488D+01  0.823180D+00  0.465907D+01  0.500134D+01
      4   0.552078D+01  0.831643D+01  0.516053D+01  0.127261D+02  0.110078D+02
      5   0.272135D+01  0.517958D+01  0.422691D+01  0.140457D+02  0.120929D+02
      6   0.457038D+01  0.799272D+01  0.964868D+01  0.141676D+02  0.204618D+02
               171           172           173           174           175 
      1  -0.178824D+02  0.377371D+01 -0.106034D+01  0.560936D+01  0.283927D+01
      2   0.118005D+01 -0.407416D+01  0.183376D+01 -0.357223D+00 -0.206956D+01
      3   0.167024D+02  0.300450D+00 -0.773418D+00 -0.525214D+01 -0.769702D+00
      4   0.117367D+02 -0.695113D+00 -0.143605D+01 -0.682849D+00 -0.170211D+01
      5   0.211265D+02  0.267436D+01  0.116440D+01  0.675316D+00  0.438286D+01
      6   0.307394D+02  0.264908D+00 -0.159447D+01  0.202427D+01 -0.853845D+00
               176           177           178           179           180 
      1  -0.497143D+01 -0.284531D+01  0.479702D+01 -0.151103D+01 -0.134578D+02
      2  -0.139247D+00 -0.900609D+01 -0.342170D+01 -0.695386D+01 -0.175909D+02
      3   0.511068D+01  0.118514D+02 -0.137532D+01  0.846490D+01  0.310487D+02
      4   0.588029D+01  0.542270D+01 -0.158333D+01  0.695539D+01  0.740713D+01
      5   0.377939D+01  0.114657D+02  0.633498D+01  0.464937D+01  0.233254D+02
      6   0.184033D+01  0.794646D+00 -0.442517D+00  0.359961D+01 -0.537671D+01
               181           182           183           184           185 
      1   0.787294D+02 -0.140214D+02  0.195329D+01 -0.506345D+01  0.436068D+01
      2  -0.361114D+02  0.305179D+01 -0.303414D+01 -0.117525D+01  0.179322D+01
      3  -0.426181D+02  0.109696D+02  0.108084D+01  0.623870D+01 -0.615390D+01
      4  -0.434421D+02  0.197174D+02 -0.309670D+01  0.148076D+02 -0.960162D+01
      5   0.187723D+02 -0.483301D+01  0.114077D+02 -0.906168D+00  0.167364D+01
      6  -0.373658D+01  0.300220D+01 -0.473839D+01  0.121081D+01 -0.201485D+01
               186           187           188           189           190 
      1   0.264118D+00 -0.594483D+01  0.966800D+00  0.565665D+01 -0.442014D+00
      2  -0.132558D+01  0.726938D+00 -0.231514D+00 -0.479516D+01  0.390215D+01
      3   0.106146D+01  0.521789D+01 -0.735286D+00 -0.861497D+00 -0.346013D+01
      4   0.907770D+00  0.464189D+01 -0.241824D+01 -0.182220D+01 -0.151325D+01
      5   0.893912D-01  0.917888D+01 -0.619152D+00  0.711364D+00 -0.727592D+00
      6   0.138608D+01 -0.320488D+01  0.123285D+01  0.495492D+00 -0.148230D+01
               191           192           193           194           195 
      1  -0.126683D+02  0.420551D+01 -0.868981D+01 -0.305914D+02  0.792129D+01
      2   0.137809D+02 -0.249329D+01  0.582625D+01  0.440791D+02 -0.808051D+01
      3  -0.111258D+01 -0.171222D+01  0.286356D+01 -0.134877D+02  0.159211D+00
      4  -0.156032D+01  0.125375D+01  0.594901D+01 -0.248526D+02  0.662905D+01
      5  -0.340634D+00 -0.191493D+01 -0.323741D+01  0.432936D+01 -0.389881D+01
      6  -0.612112D+01  0.445227D+01 -0.896676D+00 -0.190002D+02  0.108124D+02
               196           197           198 
      1   0.553507D+00  0.610892D+01 -0.745522D+01
      2  -0.200566D+00 -0.482422D+01  0.408493D+01
      3  -0.352940D+00 -0.128470D+01  0.337029D+01
      4   0.102723D+01  0.314555D+01 -0.144322D+01
      5   0.384002D+00 -0.216954D+01  0.268177D+01
      6   0.179607D+01  0.956408D+01 -0.532912D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:36:17 2021, MaxMem=  5637144576 cpu:           11522.7 elap:            1443.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19130 -10.18628 -10.18582 -10.18510 -10.18485
 Alpha  occ. eigenvalues --  -10.18443 -10.18421 -10.18339 -10.18248 -10.17756
 Alpha  occ. eigenvalues --   -0.86875  -0.81041  -0.75774  -0.72146  -0.70669
 Alpha  occ. eigenvalues --   -0.64850  -0.60627  -0.57345  -0.56048  -0.50344
 Alpha  occ. eigenvalues --   -0.47923  -0.46127  -0.44933  -0.42947  -0.41782
 Alpha  occ. eigenvalues --   -0.40405  -0.39594  -0.38656  -0.36729  -0.35391
 Alpha  occ. eigenvalues --   -0.34140  -0.33067  -0.32936  -0.32527  -0.25221
 Alpha  occ. eigenvalues --   -0.24014
 Alpha virt. eigenvalues --   -0.01468  -0.00593   0.01895   0.03717   0.03906
 Alpha virt. eigenvalues --    0.05002   0.06149   0.06394   0.07593   0.08489
 Alpha virt. eigenvalues --    0.09305   0.09451   0.11181   0.11705   0.12689
 Alpha virt. eigenvalues --    0.13142   0.14290   0.14525   0.15172   0.15663
 Alpha virt. eigenvalues --    0.15954   0.16763   0.17701   0.18513   0.19092
 Alpha virt. eigenvalues --    0.20062   0.20291   0.20661   0.21196   0.22170
 Alpha virt. eigenvalues --    0.23603   0.24108   0.25676   0.26136   0.26212
 Alpha virt. eigenvalues --    0.26678   0.27499   0.28539   0.29015   0.29380
 Alpha virt. eigenvalues --    0.29994   0.30940   0.31549   0.31822   0.32191
 Alpha virt. eigenvalues --    0.32793   0.33286   0.33996   0.34242   0.35167
 Alpha virt. eigenvalues --    0.35290   0.35428   0.36502   0.36720   0.37323
 Alpha virt. eigenvalues --    0.37508   0.38263   0.38439   0.38824   0.39049
 Alpha virt. eigenvalues --    0.39442   0.39873   0.40327   0.40952   0.41556
 Alpha virt. eigenvalues --    0.42101   0.42552   0.42920   0.43209   0.44192
 Alpha virt. eigenvalues --    0.44757   0.44942   0.45768   0.46144   0.46425
 Alpha virt. eigenvalues --    0.46593   0.47021   0.47519   0.48758   0.49357
 Alpha virt. eigenvalues --    0.50069   0.50743   0.51493   0.51748   0.52335
 Alpha virt. eigenvalues --    0.53228   0.53749   0.54845   0.55700   0.55986
 Alpha virt. eigenvalues --    0.56875   0.57205   0.58547   0.58882   0.60335
 Alpha virt. eigenvalues --    0.60655   0.60963   0.61203   0.62276   0.62911
 Alpha virt. eigenvalues --    0.63003   0.64210   0.65118   0.66004   0.67224
 Alpha virt. eigenvalues --    0.67430   0.69255   0.70181   0.71482   0.72704
 Alpha virt. eigenvalues --    0.73853   0.74595   0.75674   0.76161   0.77695
 Alpha virt. eigenvalues --    0.78520   0.79915   0.81189   0.82763   0.84385
 Alpha virt. eigenvalues --    0.85576   0.87675   0.88121   0.89537   0.90854
 Alpha virt. eigenvalues --    0.92836   0.94211   0.95936   0.96325   0.97288
 Alpha virt. eigenvalues --    0.98254   0.99320   0.99964   1.00797   1.01407
 Alpha virt. eigenvalues --    1.02045   1.02398   1.02953   1.03955   1.05742
 Alpha virt. eigenvalues --    1.07044   1.09234   1.09617   1.11508   1.12154
 Alpha virt. eigenvalues --    1.13155   1.14995   1.15472   1.15699   1.19250
 Alpha virt. eigenvalues --    1.20081   1.21246   1.22456   1.22874   1.24544
 Alpha virt. eigenvalues --    1.26247   1.27357   1.28276   1.28729   1.30747
 Alpha virt. eigenvalues --    1.32798   1.34577   1.37385   1.38968   1.40735
 Alpha virt. eigenvalues --    1.42964   1.44012   1.46099   1.48953   1.50096
 Alpha virt. eigenvalues --    1.51936   1.52742   1.54077   1.60426   1.61495
 Alpha virt. eigenvalues --    1.64337   1.64532   1.66797   1.68846   1.71350
 Alpha virt. eigenvalues --    1.73153   1.73715   1.74475   1.76316   1.78571
 Alpha virt. eigenvalues --    1.79663   1.81013   1.82849   1.84872   1.86427
 Alpha virt. eigenvalues --    1.88096   1.88788   1.89556   1.91144   1.93365
 Alpha virt. eigenvalues --    1.94751   1.95453   1.97888   1.99776   2.00757
 Alpha virt. eigenvalues --    2.01740   2.03932   2.04452   2.06070   2.07422
 Alpha virt. eigenvalues --    2.08382   2.09273   2.14291   2.15586   2.15812
 Alpha virt. eigenvalues --    2.16007   2.18513   2.19085   2.21472   2.23293
 Alpha virt. eigenvalues --    2.26808   2.28972   2.30335   2.33745   2.36815
 Alpha virt. eigenvalues --    2.38549   2.39857   2.41122   2.41741   2.42958
 Alpha virt. eigenvalues --    2.44218   2.46634   2.48343   2.49878   2.50674
 Alpha virt. eigenvalues --    2.52920   2.54910   2.58984   2.61057   2.63270
 Alpha virt. eigenvalues --    2.63653   2.69484   2.70508   2.73530   2.75119
 Alpha virt. eigenvalues --    2.77525   2.85747   2.86400   2.88230   2.89665
 Alpha virt. eigenvalues --    2.94016   2.99967   3.01233   3.03494   3.06993
 Alpha virt. eigenvalues --    3.09725   3.10707   3.13896   3.15282   3.16090
 Alpha virt. eigenvalues --    3.19350   3.19838   3.25159   3.35851   3.68410
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.488679   0.096770  -0.346133   0.351006  -0.097026   0.688920
     2  C    0.096770   6.363730   0.705638  -0.134302   0.308205  -0.191437
     3  C   -0.346133   0.705638   8.723036  -0.984521  -0.059963  -0.478741
     4  C    0.351006  -0.134302  -0.984521  10.458217  -1.907238   0.111250
     5  C   -0.097026   0.308205  -0.059963  -1.907238  10.449355  -1.112541
     6  C    0.688920  -0.191437  -0.478741   0.111250  -1.112541   8.550609
     7  C    0.017262   0.060894  -0.503777   0.153610  -0.795264  -0.007917
     8  C    0.003680  -0.005073   0.076694  -0.092408  -0.005773   0.022503
     9  C    0.063170   0.000720   0.016528  -0.925319   0.249582  -0.430229
    10  H   -0.094912  -0.363897  -0.337302  -0.039115   0.109730  -0.081024
    11  H   -0.372953  -0.107436  -0.063151   0.117691  -0.061836  -0.314829
    12  H   -0.455690  -0.144797  -0.320224  -0.764002   0.287821   0.183422
    13  H   -0.141589  -0.401753   0.181335   0.237290  -0.547484  -0.442930
    14  H    0.005246   0.001220  -0.084387  -0.141218  -0.035438  -0.007396
    15  C   -0.000711  -0.000867   0.014965   0.034838   0.094266   0.012238
    16  H    0.000726  -0.002273   0.003900  -0.048455   0.026076  -0.005876
    17  H   -0.000992   0.000065  -0.003783   0.040910  -0.058980   0.005728
    18  H   -0.004319  -0.000606  -0.009563   0.126017   0.001334  -0.011231
    19  H   -0.005187  -0.003652  -0.010357   0.110627   0.133049   0.018302
    20  H   -0.003296  -0.000289  -0.002904  -0.046484   0.046949  -0.002536
    21  H   -0.000254  -0.000067   0.006754   0.009650   0.004429  -0.000534
    22  H    0.003347   0.001077  -0.010555  -0.065459  -0.046207  -0.001039
               7          8          9         10         11         12
     1  C    0.017262   0.003680   0.063170  -0.094912  -0.372953  -0.455690
     2  C    0.060894  -0.005073   0.000720  -0.363897  -0.107436  -0.144797
     3  C   -0.503777   0.076694   0.016528  -0.337302  -0.063151  -0.320224
     4  C    0.153610  -0.092408  -0.925319  -0.039115   0.117691  -0.764002
     5  C   -0.795264  -0.005773   0.249582   0.109730  -0.061836   0.287821
     6  C   -0.007917   0.022503  -0.430229  -0.081024  -0.314829   0.183422
     7  C    6.972532   0.108082  -0.178632   0.003940  -0.002475  -0.110368
     8  C    0.108082   4.658024   0.348198  -0.000594   0.000565   0.001191
     9  C   -0.178632   0.348198   6.012769  -0.002861   0.004127   0.008115
    10  H    0.003940  -0.000594  -0.002861   2.596098  -0.568092  -0.578439
    11  H   -0.002475   0.000565   0.004127  -0.568092   2.616997   0.065135
    12  H   -0.110368   0.001191   0.008115  -0.578439   0.065135   2.302828
    13  H   -0.002122  -0.002981  -0.093675   0.062276  -0.570950  -0.017650
    14  H    0.163621  -0.035334  -0.018458  -0.001451   0.000025   0.018680
    15  C    0.056834  -0.030157   0.018303  -0.000051  -0.000243   0.007772
    16  H   -0.053718   0.234866   0.116525  -0.000029   0.000048   0.001332
    17  H    0.119164   0.157150  -0.021419   0.000024  -0.000012  -0.001683
    18  H    0.022942  -0.010670  -0.029112   0.000211  -0.001798  -0.000363
    19  H    0.063110  -0.018858  -0.112769   0.000250  -0.001125   0.000054
    20  H    0.146300  -0.026182   0.029804   0.000069   0.000073  -0.000600
    21  H    0.044867  -0.012473  -0.009355  -0.000003   0.000002   0.001806
    22  H    0.181619   0.019520  -0.011724  -0.000004  -0.000061  -0.005004
              13         14         15         16         17         18
     1  C   -0.141589   0.005246  -0.000711   0.000726  -0.000992  -0.004319
     2  C   -0.401753   0.001220  -0.000867  -0.002273   0.000065  -0.000606
     3  C    0.181335  -0.084387   0.014965   0.003900  -0.003783  -0.009563
     4  C    0.237290  -0.141218   0.034838  -0.048455   0.040910   0.126017
     5  C   -0.547484  -0.035438   0.094266   0.026076  -0.058980   0.001334
     6  C   -0.442930  -0.007396   0.012238  -0.005876   0.005728  -0.011231
     7  C   -0.002122   0.163621   0.056834  -0.053718   0.119164   0.022942
     8  C   -0.002981  -0.035334  -0.030157   0.234866   0.157150  -0.010670
     9  C   -0.093675  -0.018458   0.018303   0.116525  -0.021419  -0.029112
    10  H    0.062276  -0.001451  -0.000051  -0.000029   0.000024   0.000211
    11  H   -0.570950   0.000025  -0.000243   0.000048  -0.000012  -0.001798
    12  H   -0.017650   0.018680   0.007772   0.001332  -0.001683  -0.000363
    13  H    2.175629   0.000327   0.000335  -0.001413   0.000117   0.039506
    14  H    0.000327   1.401504  -0.047973  -0.137655   0.104443   0.003398
    15  C    0.000335  -0.047973   4.206245   0.044703  -0.099697  -0.005620
    16  H   -0.001413  -0.137655   0.044703   1.210584  -0.238170  -0.082562
    17  H    0.000117   0.104443  -0.099697  -0.238170   1.291320   0.046354
    18  H    0.039506   0.003398  -0.005620  -0.082562   0.046354   0.904169
    19  H    0.013486  -0.007392  -0.003530   0.021317  -0.074223   0.023977
    20  H   -0.000499  -0.007325   0.238674  -0.002628  -0.024506  -0.000536
    21  H   -0.000009  -0.052232   0.249382   0.014262   0.006768  -0.000599
    22  H    0.000254   0.066863   0.121345  -0.006799   0.009387   0.000497
              19         20         21         22
     1  C   -0.005187  -0.003296  -0.000254   0.003347
     2  C   -0.003652  -0.000289  -0.000067   0.001077
     3  C   -0.010357  -0.002904   0.006754  -0.010555
     4  C    0.110627  -0.046484   0.009650  -0.065459
     5  C    0.133049   0.046949   0.004429  -0.046207
     6  C    0.018302  -0.002536  -0.000534  -0.001039
     7  C    0.063110   0.146300   0.044867   0.181619
     8  C   -0.018858  -0.026182  -0.012473   0.019520
     9  C   -0.112769   0.029804  -0.009355  -0.011724
    10  H    0.000250   0.000069  -0.000003  -0.000004
    11  H   -0.001125   0.000073   0.000002  -0.000061
    12  H    0.000054  -0.000600   0.001806  -0.005004
    13  H    0.013486  -0.000499  -0.000009   0.000254
    14  H   -0.007392  -0.007325  -0.052232   0.066863
    15  C   -0.003530   0.238674   0.249382   0.121345
    16  H    0.021317  -0.002628   0.014262  -0.006799
    17  H   -0.074223  -0.024506   0.006768   0.009387
    18  H    0.023977  -0.000536  -0.000599   0.000497
    19  H    0.916401  -0.009381   0.004859   0.000356
    20  H   -0.009381   0.841072  -0.019632  -0.058884
    21  H    0.004859  -0.019632   0.791591  -0.067473
    22  H    0.000356  -0.058884  -0.067473   0.998796
 Mulliken charges:
               1
     1  C   -0.195744
     2  C   -0.181870
     3  C   -0.513489
     4  C   -0.602585
     5  C   -0.983049
     6  C   -0.504711
     7  C   -0.460504
     8  C    0.610028
     9  C    0.965708
    10  H    0.295177
    11  H    0.260299
    12  H    0.520666
    13  H    0.512499
    14  H   -0.189065
    15  C    1.088949
    16  H   -0.094759
    17  H   -0.257964
    18  H   -0.011426
    19  H   -0.059312
    20  H   -0.097255
    21  H    0.028259
    22  H   -0.129852
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.099433
     2  C    0.078428
     3  C    0.007177
     4  C   -0.602585
     5  C   -0.983049
     6  C    0.007788
     7  C   -0.649569
     8  C    0.257305
     9  C    0.894970
    15  C    0.890101
 Electronic spatial extent (au):  <R**2>=           1394.9810
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5921    Y=              0.1198    Z=             -0.0256  Tot=              0.6046
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.9098   YY=            -58.2978   ZZ=            -63.6737
   XY=              0.0961   XZ=             -0.6543   YZ=              1.2920
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.3840   YY=              1.9960   ZZ=             -3.3799
   XY=              0.0961   XZ=             -0.6543   YZ=              1.2920
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.3674  YYY=             -0.4092  ZZZ=             -0.6166  XYY=             -3.3364
  XXY=             -0.4043  XXZ=              1.4475  XZZ=              6.1213  YZZ=              1.5673
  YYZ=             -1.5234  XYZ=             -1.0836
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1165.4304 YYYY=           -570.7345 ZZZZ=           -172.1144 XXXY=              1.7348
 XXXZ=             -6.9070 YYYX=              1.1131 YYYZ=              5.7582 ZZZX=             -2.2141
 ZZZY=              0.6117 XXYY=           -294.6145 XXZZ=           -244.5525 YYZZ=           -130.0069
 XXYZ=              7.6922 YYXZ=             -2.4186 ZZXY=              0.7568
 N-N= 5.059460084488D+02 E-N=-1.908197508354D+03  KE= 3.834421272309D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:36:18 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1668    1.1672        0.8444    0.8447
 2     -1.1668   -1.1672       -2.7054   -2.7052      -11.3076  -11.3090
 3     -0.8444   -0.8447       32.1758   32.1749        2.7022    2.7052
 4      2.7054    2.7052        0.0000    0.0000       -0.8459   -0.8447
 5    -20.8682  -20.8658        0.8459    0.8447        1.1681    1.1672
 6     -2.7022   -2.7052       -1.1681   -1.1672       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5017   -3.5017        2.5341    2.5341
 2      8.1157    8.1157       -0.0000    0.0000        2.5341    2.5341
 3      8.1157    8.1157       -3.5017   -3.5017        0.0000    0.0000
 4     -3.5017   -3.5017       -8.1157   -8.1157      -33.9271  -33.9271
 5     -2.5341   -2.5341       96.5246   96.5246        8.1157    8.1157
 6    -62.5974  -62.5974        2.5341    2.5341        3.5017    3.5017
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0013    0.0000       -4.7612   -4.6690       -3.3907   -3.3788
 2      4.6747    4.6690       10.7539   10.8209       45.2865   45.2362
 3      3.4804    3.3788     -128.6672 -128.6994      -10.8525  -10.8209
 4    -10.8133  -10.8209       -0.0451    0.0000        3.3773    3.3788
 5     83.5093   83.4632       -3.3170   -3.3788       -4.6494   -4.6690
 6     10.8819   10.8209        4.7475    4.6690       -0.0666    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0066    0.0000        3.5928    3.6336       -8.2619   -8.2409
 2     -3.6065   -3.6336       49.7286   49.5746       36.0218   36.0107
 3      8.2473    8.2409       19.3236   19.3842      -49.4362  -49.5746
 4    -49.6518  -49.5746       -0.0095    0.0000        8.2437    8.2409
 5    -55.5201  -55.3949       -8.5974   -8.2409        3.6300    3.6336
 6     49.6322   49.5746       -3.5993   -3.6336       -0.0053    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.3795   -8.4071       20.4142   20.3434       15.8002   15.8159
 2    -77.1847  -77.0803       20.9765   21.0004       15.7546   15.8159
 3    -77.1295  -77.0803       20.3189   20.3434       14.6191   14.6962
 4     -0.6762   -0.6570       68.5023   68.6732       34.4016   34.3268
 5     -1.0383   -1.1197       36.5588   36.3906      -68.6224  -68.6732
 6    -70.7899  -70.7174        0.9220    1.1197        0.6396    0.6570
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.8636                 3.7981                 1.2071
  Dep-P Fr= 1--      0.7456                 0.7346                 0.6203
  Dep-U Fr= 1--      0.8542                 0.8470                 0.7657
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0029
 Beta2  Fr= 1--      0.4077                 0.5362                 0.1540
 AlphaG Fr= 1--      0.0011                 0.0010                 0.0039
 Gamma2 Fr= 1--      1.4935                 0.5304                -0.3288
 Delta2 Fr= 1--      0.8212                 0.0271                 0.0851
 Raman1 Fr= 1--      11.455                 15.192                  4.828
 ROA1   Fr= 1--     169.655                 51.784                -28.839
 CID1   Fr= 1--      14.811                  3.409                 -5.973
 Raman2 Fr= 1--       4.892                  6.434                  1.848
 ROA2   Fr= 1--      29.274                 12.513                 -8.572
 CID2   Fr= 1--       5.984                  1.945                 -4.637
 Raman3 Fr= 1--       9.785                 12.868                  3.697
 ROA3   Fr= 1--     169.655                 51.784                -28.839
 CID3   Fr= 1--      17.339                  4.024                 -7.801
 RC180  Fr= 1--       0.708                  0.694                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0419                 0.6763                 0.6657
  Dep-P Fr= 1--      0.7144                 0.5394                 0.1916
  Dep-U Fr= 1--      0.8334                 0.7008                 0.3216
 Alpha2 Fr= 1--      0.0000                 0.0027                 0.0092
 Beta2  Fr= 1--      0.0058                 0.0790                 0.0357
 AlphaG Fr= 1--     -0.0002                -0.0033                 0.0014
 Gamma2 Fr= 1--     -0.0657                 0.3163                -1.0577
 Delta2 Fr= 1--      0.0367                 0.0602                -0.2070
 Raman1 Fr= 1--       0.168                  2.705                  2.663
 ROA1   Fr= 1--      -5.128                 32.292               -108.158
 CID1   Fr= 1--     -30.570                 11.937                -40.621
 Raman2 Fr= 1--       0.070                  0.948                  0.428
 ROA2   Fr= 1--      -1.870                  7.110                -23.728
 CID2   Fr= 1--     -26.752                  7.501                -55.418
 Raman3 Fr= 1--       0.140                  1.896                  0.856
 ROA3   Fr= 1--      -5.128                 32.292               -108.158
 CID3   Fr= 1--     -36.682                 17.034               -126.304
 RC180  Fr= 1--       0.667                  0.402                 -0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5522                 0.7016                10.7863
  Dep-P Fr= 1--      0.7487                 0.4181                 0.1945
  Dep-U Fr= 1--      0.8563                 0.5897                 0.3256
 Alpha2 Fr= 1--      0.0000                 0.0049                 0.1486
 Beta2  Fr= 1--      0.0788                 0.0689                 0.5854
 AlphaG Fr= 1--     -0.0003                 0.0069                -0.0004
 Gamma2 Fr= 1--      0.3564                 0.4570                -1.4330
 Delta2 Fr= 1--      0.0241                 0.2262                -0.1296
 Raman1 Fr= 1--       2.209                  2.806                 43.145
 ROA1   Fr= 1--      34.983                 51.114               -141.713
 CID1   Fr= 1--      15.838                 18.215                 -3.285
 Raman2 Fr= 1--       0.946                  0.827                  7.025
 ROA2   Fr= 1--       8.360                  9.159                -33.355
 CID2   Fr= 1--       8.840                 11.069                 -4.748
 Raman3 Fr= 1--       1.891                  1.655                 14.050
 ROA3   Fr= 1--      34.983                 51.114               -141.713
 CID3   Fr= 1--      18.497                 30.889                -10.087
 RC180  Fr= 1--       0.713                  0.179                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7666                 3.0404                 0.4448
  Dep-P Fr= 1--      0.7399                 0.7189                 0.0731
  Dep-U Fr= 1--      0.8505                 0.8365                 0.1363
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0083
 Beta2  Fr= 1--      0.1087                 0.4239                 0.0101
 AlphaG Fr= 1--      0.0032                 0.0058                -0.0207
 Gamma2 Fr= 1--      0.8947                -0.1928                 0.2136
 Delta2 Fr= 1--      0.0896                 0.2699                -0.0944
 Raman1 Fr= 1--       3.066                 12.162                  1.779
 ROA1   Fr= 1--      88.757                 -9.875                 17.486
 CID1   Fr= 1--      28.946                 -0.812                  9.828
 Raman2 Fr= 1--       1.304                  5.086                  0.121
 ROA2   Fr= 1--      20.756                 -6.788                  5.882
 CID2   Fr= 1--      15.918                 -1.334                 48.528
 Raman3 Fr= 1--       2.608                 10.173                  0.242
 ROA3   Fr= 1--      88.757                 -9.875                 17.486
 CID3   Fr= 1--      34.034                 -0.971                 72.129
 RC180  Fr= 1--       0.701                  0.673                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      4.8581                 8.3256                16.7901
  Dep-P Fr= 1--      0.0692                 0.0912                 0.0617
  Dep-U Fr= 1--      0.1295                 0.1671                 0.1163
 Alpha2 Fr= 1--      0.0916                 0.1489                 0.3225
 Beta2  Fr= 1--      0.1048                 0.2319                 0.3255
 AlphaG Fr= 1--      0.0466                 0.0169                 0.0368
 Gamma2 Fr= 1--      0.0129                -1.0348                -0.9725
 Delta2 Fr= 1--      0.1535                -0.1280                 0.0028
 Raman1 Fr= 1--      19.432                 33.303                 67.161
 ROA1   Fr= 1--       6.155               -103.439                -93.274
 CID1   Fr= 1--       0.317                 -3.106                 -1.389
 Raman2 Fr= 1--       1.258                  2.783                  3.906
 ROA2   Fr= 1--      -0.918                -23.811                -23.363
 CID2   Fr= 1--      -0.730                 -8.556                 -5.982
 Raman3 Fr= 1--       2.516                  5.566                  7.812
 ROA3   Fr= 1--       6.155               -103.439                -93.274
 CID3   Fr= 1--       2.446                -18.584                -11.940
 RC180  Fr= 1--      -0.741                 -0.666                 -0.767
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.7823                 7.8087                 1.3053
  Dep-P Fr= 1--      0.5793                 0.1037                 0.7235
  Dep-U Fr= 1--      0.7336                 0.1879                 0.8396
 Alpha2 Fr= 1--      0.0025                 0.1355                 0.0006
 Beta2  Fr= 1--      0.0956                 0.2445                 0.1827
 AlphaG Fr= 1--     -0.0103                -0.0147                -0.0030
 Gamma2 Fr= 1--      1.6560                 0.0701                 0.0597
 Delta2 Fr= 1--      0.4588                 0.2741                 0.0235
 Raman1 Fr= 1--       3.129                 31.235                  5.221
 ROA1   Fr= 1--     173.658                 15.503                  6.487
 CID1   Fr= 1--      55.495                  0.496                  1.242
 Raman2 Fr= 1--       1.148                  2.934                  2.192
 ROA2   Fr= 1--      36.075                 -0.509                  1.246
 CID2   Fr= 1--      31.429                 -0.174                  0.568
 Raman3 Fr= 1--       2.296                  5.869                  4.384
 ROA3   Fr= 1--     173.658                 15.503                  6.487
 CID3   Fr= 1--      75.648                  2.642                  1.480
 RC180  Fr= 1--       0.467                 -0.624                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.7761                 0.1304                 1.3263
  Dep-P Fr= 1--      0.7492                 0.5103                 0.3649
  Dep-U Fr= 1--      0.8566                 0.6757                 0.5347
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0111
 Beta2  Fr= 1--      0.2536                 0.0147                 0.1182
 AlphaG Fr= 1--     -0.0017                 0.0034                 0.0114
 Gamma2 Fr= 1--     -0.0194                 0.3260                 0.0998
 Delta2 Fr= 1--     -0.2028                -0.0577                 0.2917
 Raman1 Fr= 1--       7.104                  0.522                  5.305
 ROA1   Fr= 1--      -8.353                 29.444                 18.918
 CID1   Fr= 1--      -1.176                 56.429                  3.566
 Raman2 Fr= 1--       3.043                  0.176                  1.418
 ROA2   Fr= 1--       1.157                  8.285                  0.062
 CID2   Fr= 1--       0.380                 46.993                  0.043
 Raman3 Fr= 1--       6.086                  0.353                  2.837
 ROA3   Fr= 1--      -8.353                 29.444                 18.918
 CID3   Fr= 1--      -1.373                 83.507                  6.669
 RC180  Fr= 1--       0.713                  0.351                  0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.6958                 4.9033                 9.5185
  Dep-P Fr= 1--      0.2858                 0.7229                 0.1744
  Dep-U Fr= 1--      0.4445                 0.8391                 0.2970
 Alpha2 Fr= 1--      0.0288                 0.0023                 0.1382
 Beta2  Fr= 1--      0.1997                 0.6858                 0.4711
 AlphaG Fr= 1--     -0.0731                -0.0091                 0.1950
 Gamma2 Fr= 1--      0.9473                -1.2488                -1.2029
 Delta2 Fr= 1--     -0.2462                -1.0950                -0.7299
 Raman1 Fr= 1--      10.783                 19.613                 38.074
 ROA1   Fr= 1--      83.061               -154.925               -138.833
 CID1   Fr= 1--       7.703                 -7.899                 -3.646
 Raman2 Fr= 1--       2.397                  8.229                  5.654
 ROA2   Fr= 1--      24.704                -21.212                -23.030
 CID2   Fr= 1--      10.308                 -2.578                 -4.073
 Raman3 Fr= 1--       4.793                 16.458                 11.307
 ROA3   Fr= 1--      83.061               -154.925               -138.833
 CID3   Fr= 1--      17.328                 -9.413                -12.278
 RC180  Fr= 1--      -0.111                  0.678                 -0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     35.6063                 7.2122                 0.3134
  Dep-P Fr= 1--      0.0521                 0.3827                 0.4084
  Dep-U Fr= 1--      0.0991                 0.5535                 0.5800
 Alpha2 Fr= 1--      0.6997                 0.0568                 0.0023
 Beta2  Fr= 1--      0.5882                 0.6654                 0.0303
 AlphaG Fr= 1--      0.0027                -0.0233                 0.0015
 Gamma2 Fr= 1--      0.6331                -0.5622                -0.5575
 Delta2 Fr= 1--      0.2581                 1.6149                -0.4001
 Raman1 Fr= 1--     142.425                 28.849                  1.253
 ROA1   Fr= 1--      69.040                 -2.298                -66.324
 CID1   Fr= 1--       0.485                 -0.080                -52.914
 Raman2 Fr= 1--       7.059                  7.984                  0.363
 ROA2   Fr= 1--      13.130                -26.413                -10.179
 CID2   Fr= 1--       1.860                 -3.308                -28.003
 Raman3 Fr= 1--      14.118                 15.968                  0.727
 ROA3   Fr= 1--      69.040                 -2.298                -66.324
 CID3   Fr= 1--       4.890                 -0.144                -91.232
 RC180  Fr= 1--      -0.802                  0.107                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.5965                 5.6595                 1.5591
  Dep-P Fr= 1--      0.4044                 0.3750                 0.3579
  Dep-U Fr= 1--      0.5759                 0.5454                 0.5271
 Alpha2 Fr= 1--      0.0116                 0.0457                 0.0133
 Beta2  Fr= 1--      0.1532                 0.5145                 0.1370
 AlphaG Fr= 1--      0.0142                -0.0386                -0.0135
 Gamma2 Fr= 1--     -0.2859                -0.4186                 0.7878
 Delta2 Fr= 1--      0.0469                -0.0401                 0.2894
 Raman1 Fr= 1--       6.386                 22.638                  6.236
 ROA1   Fr= 1--     -25.945                -41.471                 84.890
 CID1   Fr= 1--      -4.063                 -1.832                 13.612
 Raman2 Fr= 1--       1.839                  6.174                  1.644
 ROA2   Fr= 1--      -7.236                 -9.726                 16.593
 CID2   Fr= 1--      -3.935                 -1.575                 10.096
 Raman3 Fr= 1--       3.678                 12.347                  3.287
 ROA3   Fr= 1--     -25.945                -41.471                 84.890
 CID3   Fr= 1--      -7.054                 -3.359                 25.825
 RC180  Fr= 1--       0.152                  0.091                  0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.9711                 3.1067                34.2648
  Dep-P Fr= 1--      0.7404                 0.4561                 0.1114
  Dep-U Fr= 1--      0.8509                 0.6265                 0.2004
 Alpha2 Fr= 1--      0.0005                 0.0186                 0.5834
 Beta2  Fr= 1--      0.4213                 0.3244                 1.1444
 AlphaG Fr= 1--      0.0041                -0.0782                -0.0878
 Gamma2 Fr= 1--      0.4325                 0.8319                 0.7157
 Delta2 Fr= 1--      0.0001                -1.3394                 0.7758
 Raman1 Fr= 1--      11.884                 12.427                137.059
 ROA1   Fr= 1--      41.528                 37.003                 93.533
 CID1   Fr= 1--       3.494                  2.978                  0.682
 Raman2 Fr= 1--       5.056                  3.893                 13.733
 ROA2   Fr= 1--      10.380                 30.681                 10.970
 CID2   Fr= 1--       2.053                  7.882                  0.799
 Raman3 Fr= 1--      10.112                  7.785                 27.466
 ROA3   Fr= 1--      41.528                 37.003                 93.533
 CID3   Fr= 1--       4.107                  4.753                  3.405
 RC180  Fr= 1--       0.702                  0.253                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.1447                10.4740                 2.3605
  Dep-P Fr= 1--      0.2287                 0.1361                 0.6956
  Dep-U Fr= 1--      0.3723                 0.2396                 0.8205
 Alpha2 Fr= 1--      0.0521                 0.1677                 0.0022
 Beta2  Fr= 1--      0.2572                 0.4183                 0.3228
 AlphaG Fr= 1--     -0.0876                 0.0134                -0.0049
 Gamma2 Fr= 1--      2.9078                -1.6206                 0.7012
 Delta2 Fr= 1--      0.0429                 0.2705                 0.8584
 Raman1 Fr= 1--      16.579                 41.896                  9.442
 ROA1   Fr= 1--     280.525               -146.923                 94.783
 CID1   Fr= 1--      16.921                 -3.507                 10.038
 Raman2 Fr= 1--       3.086                  5.019                  3.873
 ROA2   Fr= 1--      69.445                -41.059                  9.961
 CID2   Fr= 1--      22.504                 -8.180                  2.572
 Raman3 Fr= 1--       6.172                 10.038                  7.747
 ROA3   Fr= 1--     280.525               -146.923                 94.783
 CID3   Fr= 1--      45.454                -14.636                 12.235
 RC180  Fr= 1--      -0.255                 -0.521                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.5788                 9.4303                10.5612
  Dep-P Fr= 1--      0.3952                 0.5832                 0.1047
  Dep-U Fr= 1--      0.5665                 0.7368                 0.1896
 Alpha2 Fr= 1--      0.0044                 0.0294                 0.1828
 Beta2  Fr= 1--      0.0547                 1.1580                 0.3337
 AlphaG Fr= 1--      0.0111                -0.0693                -0.0389
 Gamma2 Fr= 1--     -0.3519                -1.8171                -0.9822
 Delta2 Fr= 1--     -0.1928                 0.1994                -0.6617
 Raman1 Fr= 1--       2.315                 37.721                 42.245
 ROA1   Fr= 1--     -39.956               -168.063               -115.467
 CID1   Fr= 1--     -17.258                 -4.455                 -2.733
 Raman2 Fr= 1--       0.656                 13.896                  4.004
 ROA2   Fr= 1--      -6.905                -45.206                -18.280
 CID2   Fr= 1--     -10.528                 -3.253                 -4.566
 Raman3 Fr= 1--       1.312                 27.792                  8.008
 ROA3   Fr= 1--     -39.956               -168.063               -115.467
 CID3   Fr= 1--     -30.463                 -6.047                -14.419
 RC180  Fr= 1--       0.133                  0.474                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.8002                13.5634                 3.7788
  Dep-P Fr= 1--      0.6687                 0.5408                 0.5631
  Dep-U Fr= 1--      0.8015                 0.7020                 0.7205
 Alpha2 Fr= 1--      0.0012                 0.0546                 0.0134
 Beta2  Fr= 1--      0.1069                 1.5869                 0.4538
 AlphaG Fr= 1--     -0.0056                -0.0376                -0.0219
 Gamma2 Fr= 1--      0.1252                 0.1855                -2.3080
 Delta2 Fr= 1--      0.1586                 1.3295                 2.9063
 Raman1 Fr= 1--       3.201                 54.254                 15.115
 ROA1   Fr= 1--      17.098                 60.351               -128.566
 CID1   Fr= 1--       5.342                  1.112                 -8.506
 Raman2 Fr= 1--       1.283                 19.043                  5.445
 ROA2   Fr= 1--       1.737                 -6.184                -78.642
 CID2   Fr= 1--       1.354                 -0.325                -14.442
 Raman3 Fr= 1--       2.565                 38.085                 10.891
 ROA3   Fr= 1--      17.098                 60.351               -128.566
 CID3   Fr= 1--       6.665                  1.585                -11.805
 RC180  Fr= 1--       0.603                  0.404                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--     10.0070                 2.7136                 6.6792
  Dep-P Fr= 1--      0.6757                 0.4957                 0.3515
  Dep-U Fr= 1--      0.8065                 0.6629                 0.5202
 Alpha2 Fr= 1--      0.0131                 0.0137                 0.0583
 Beta2  Fr= 1--      1.3451                 0.2998                 0.5791
 AlphaG Fr= 1--      0.0292                -0.0274                -0.0550
 Gamma2 Fr= 1--      0.0258                 2.0750                 0.7117
 Delta2 Fr= 1--     -0.6530                 0.1357                -4.3270
 Raman1 Fr= 1--      40.028                 10.854                 26.717
 ROA1   Fr= 1--     -18.417                203.538                -70.147
 CID1   Fr= 1--      -0.460                 18.752                 -2.626
 Raman2 Fr= 1--      16.141                  3.597                  6.949
 ROA2   Fr= 1--       5.844                 48.714                 51.696
 CID2   Fr= 1--       0.362                 13.541                  7.440
 Raman3 Fr= 1--      32.282                  7.195                 13.898
 ROA3   Fr= 1--     -18.417                203.538                -70.147
 CID3   Fr= 1--      -0.571                 28.289                 -5.047
 RC180  Fr= 1--       0.613                  0.326                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      2.1317                13.6297                26.1242
  Dep-P Fr= 1--      0.4736                 0.6377                 0.7393
  Dep-U Fr= 1--      0.6428                 0.7788                 0.8501
 Alpha2 Fr= 1--      0.0118                 0.0277                 0.0048
 Beta2  Fr= 1--      0.2284                 1.7692                 3.7014
 AlphaG Fr= 1--     -0.0418                -0.0738                -0.0036
 Gamma2 Fr= 1--     -2.4430                 0.7305                -0.6261
 Delta2 Fr= 1--      0.5086                -1.1496                 1.1614
 Raman1 Fr= 1--       8.527                 54.519                104.497
 ROA1   Fr= 1--    -218.251                 33.343                -22.945
 CID1   Fr= 1--     -25.596                  0.612                 -0.220
 Raman2 Fr= 1--       2.741                 21.230                 44.417
 ROA2   Fr= 1--     -62.701                 26.729                -24.319
 CID2   Fr= 1--     -22.879                  1.259                 -0.548
 Raman3 Fr= 1--       5.481                 42.460                 88.833
 ROA3   Fr= 1--    -218.251                 33.343                -22.945
 CID3   Fr= 1--     -39.819                  0.785                 -0.258
 RC180  Fr= 1--       0.286                  0.558                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    139.6812               229.9653                70.7276
  Dep-P Fr= 1--      0.2205                 0.0172                 0.5917
  Dep-U Fr= 1--      0.3613                 0.0339                 0.7435
 Alpha2 Fr= 1--      1.7955                 4.9084                 0.2084
 Beta2  Fr= 1--      8.4118                 1.2982                 8.7644
 AlphaG Fr= 1--     -0.6067                 0.0309                -0.6320
 Gamma2 Fr= 1--     -3.4061                -2.6565                -4.4697
 Delta2 Fr= 1--     -7.4148                -0.1064                -4.8250
 Raman1 Fr= 1--     558.725                919.861                282.910
 ROA1   Fr= 1--    -564.260               -258.432               -583.494
 CID1   Fr= 1--      -1.010                 -0.281                 -2.062
 Raman2 Fr= 1--     100.942                 15.578                105.173
 ROA2   Fr= 1--     -22.429                -62.905                -68.674
 CID2   Fr= 1--      -0.222                 -4.038                 -0.653
 Raman3 Fr= 1--     201.883                 31.157                210.346
 ROA3   Fr= 1--    -564.260               -258.432               -583.494
 CID3   Fr= 1--      -2.795                 -8.295                 -2.774
 RC180  Fr= 1--      -0.277                 -0.932                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    184.0775               172.4742                70.0852
  Dep-P Fr= 1--      0.1259                 0.1789                 0.6810
  Dep-U Fr= 1--      0.2236                 0.3035                 0.8102
 Alpha2 Fr= 1--      3.0235                 2.4757                 0.0853
 Beta2  Fr= 1--      6.8601                 8.7237                 9.4639
 AlphaG Fr= 1--     -2.4814                 2.2406                -0.0808
 Gamma2 Fr= 1--      2.3235                17.8910               -18.1281
 Delta2 Fr= 1--     13.5908                 9.2654               -14.5567
 Raman1 Fr= 1--     736.310                689.897                280.341
 ROA1   Fr= 1--     657.959               2014.034              -2206.114
 CID1   Fr= 1--       0.894                  2.919                 -7.869
 Raman2 Fr= 1--      82.322                104.684                113.567
 ROA2   Fr= 1--     -52.963                355.262               -318.622
 CID2   Fr= 1--      -0.643                  3.394                 -2.806
 Raman3 Fr= 1--     164.643                209.368                227.134
 ROA3   Fr= 1--     657.959               2014.034              -2206.114
 CID3   Fr= 1--       3.996                  9.620                 -9.713
 RC180  Fr= 1--      -0.553                 -0.393                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    121.4724                95.0734                18.0503
  Dep-P Fr= 1--      0.4667                 0.7495                 0.6993
  Dep-U Fr= 1--      0.6364                 0.8568                 0.8230
 Alpha2 Fr= 1--      0.6952                 0.0008                 0.0160
 Beta2  Fr= 1--     12.8843                13.5768                 2.4760
 AlphaG Fr= 1--      0.3177                -0.0001                 0.0367
 Gamma2 Fr= 1--     15.9216                -6.2224                 0.9112
 Delta2 Fr= 1--     10.2591                -4.1225                 0.6005
 Raman1 Fr= 1--     485.890                380.294                 72.201
 ROA1   Fr= 1--    1856.764               -729.266                106.693
 CID1   Fr= 1--       3.821                 -1.918                  1.478
 Raman2 Fr= 1--     154.612                162.922                 29.712
 ROA2   Fr= 1--     300.045               -116.357                 17.065
 CID2   Fr= 1--       1.941                 -0.714                  0.574
 Raman3 Fr= 1--     309.224                325.844                 59.423
 ROA3   Fr= 1--    1856.764               -729.266                106.693
 CID3   Fr= 1--       6.005                 -2.238                  1.795
 RC180  Fr= 1--       0.273                  0.714                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    160.3731                74.9291               309.3822
  Dep-P Fr= 1--      0.5083                 0.7481                 0.1078
  Dep-U Fr= 1--      0.6740                 0.8559                 0.1946
 Alpha2 Fr= 1--      0.7613                 0.0024                 5.3145
 Beta2  Fr= 1--     18.0162                10.6887                10.0331
 AlphaG Fr= 1--      0.1669                -0.0123                 0.4377
 Gamma2 Fr= 1--     -0.7043                 0.7293                 1.5523
 Delta2 Fr= 1--     -0.8717                -3.7170                 3.3338
 Raman1 Fr= 1--     641.493                299.716               1237.529
 ROA1   Fr= 1--     -95.504                -48.926                255.707
 CID1   Fr= 1--      -0.149                 -0.163                  0.207
 Raman2 Fr= 1--     216.194                128.264                120.397
 ROA2   Fr= 1--      -9.928                 47.240                 10.585
 CID2   Fr= 1--      -0.046                  0.368                  0.088
 Raman3 Fr= 1--     432.388                256.529                240.794
 ROA3   Fr= 1--     -95.504                -48.926                255.707
 CID3   Fr= 1--      -0.221                 -0.191                  1.062
 RC180  Fr= 1--       0.348                  0.712                 -0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146440D+03  0.168942D+01 -0.233449D+01
      2   0.168942D+01  0.123822D+03  0.541047D+01
      3  -0.233449D+01  0.541047D+01  0.820904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.276324D+01 -0.233801D+01  0.237943D+01
      2   0.105789D+02 -0.152421D+02  0.150744D+02
      3   0.125414D+01  0.345002D+02  0.124554D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.823122D+02 -0.132233D+02  0.896654D+01
      2   0.369526D+02  0.544620D+01 -0.572967D+01
      3   0.453597D+02  0.777709D+01 -0.323687D+01
      4  -0.222338D+02 -0.359900D+02 -0.319963D+02
      5   0.226667D+02 -0.323402D+02  0.410903D+02
      6  -0.144889D+02  0.685079D+01 -0.189033D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.693622D+00 -0.144770D+01 -0.624187D+00 -0.479121D+01  0.500184D+00
      2  -0.144770D+01 -0.224285D+01 -0.700942D+00  0.500184D+00 -0.220941D+01
      3  -0.624187D+00 -0.700942D+00 -0.179220D+01  0.117971D+01  0.850905D+00
                 6             7             8             9            10 
      1   0.117971D+01 -0.169537D+01  0.734023D+00 -0.388685D+01 -0.447216D+01
      2   0.850905D+00  0.734023D+00  0.134527D+01 -0.310670D+01  0.127602D+01
      3  -0.145506D+01 -0.388685D+01 -0.310670D+01 -0.689072D+00 -0.509310D+00
                11            12            13            14            15 
      1   0.127602D+01 -0.509310D+00  0.236403D+01  0.185711D+01  0.126777D+01
      2  -0.257309D+01 -0.848435D-01  0.185711D+01  0.200337D+01 -0.515167D+00
      3  -0.848435D-01 -0.198212D+01  0.126777D+01 -0.515167D+00  0.367765D+00
                16            17            18            19            20 
      1   0.110565D+00  0.148527D+01 -0.500952D+01 -0.153871D+01  0.418418D+01
      2   0.148527D+01  0.306480D+00  0.114132D+01  0.418418D+01  0.105755D+01
      3  -0.500952D+01  0.114132D+01  0.146331D+01  0.510112D+00 -0.221248D+00
                21            22            23            24            25 
      1   0.510112D+00 -0.561050D+01  0.894141D+00 -0.143664D+00 -0.825314D+00
      2  -0.221248D+00  0.894141D+00 -0.187406D+01  0.108471D+01 -0.113030D+01
      3   0.370693D+00 -0.143664D+00  0.108471D+01 -0.144540D+01 -0.279669D+00
                26            27            28            29            30 
      1  -0.113030D+01 -0.279669D+00  0.150774D+02 -0.463660D+01 -0.261623D+00
      2   0.124539D+01 -0.357092D+01 -0.463660D+01  0.476761D+01  0.176661D+00
      3  -0.357092D+01 -0.257162D+01 -0.261623D+00  0.176661D+00  0.154401D+01
                31            32            33            34            35 
      1  -0.888770D+01 -0.188523D+01 -0.603335D+00 -0.182412D+01 -0.120479D+01
      2  -0.188523D+01 -0.834182D+00 -0.693406D-01 -0.120479D+01 -0.603844D+00
      3  -0.603335D+00 -0.693406D-01 -0.231694D+00  0.334403D+01 -0.156227D+01
                36            37            38            39            40 
      1   0.334403D+01  0.321882D+01  0.441699D+01  0.838684D+00  0.131588D+02
      2  -0.156227D+01  0.441699D+01  0.649938D+01  0.144251D+01  0.309266D+01
      3  -0.150714D+01  0.838684D+00  0.144251D+01  0.137502D+01  0.200372D+00
                41            42            43            44            45 
      1   0.309266D+01  0.200372D+00  0.292077D+01  0.199625D+00  0.229358D+01
      2   0.551109D+01 -0.319231D+00  0.199625D+00 -0.108821D+01  0.234171D+01
      3  -0.319231D+00  0.100355D+01  0.229358D+01  0.234171D+01  0.429186D+00
                46            47            48            49            50 
      1   0.129347D+01 -0.374138D+01 -0.439319D+00  0.494859D+01 -0.494222D+00
      2  -0.374138D+01 -0.271850D+01  0.387728D+00 -0.494222D+00  0.955410D+00
      3  -0.439319D+00  0.387728D+00  0.297683D-01  0.178434D+00 -0.857477D+00
                51            52            53            54            55 
      1   0.178434D+00  0.390807D+00  0.108052D+01 -0.183946D+01 -0.419715D+01
      2  -0.857477D+00  0.108052D+01 -0.843404D+00  0.353511D+01  0.333610D+01
      3   0.143274D+01 -0.183946D+01  0.353511D+01  0.234785D+01 -0.532454D-01
                56            57            58            59            60 
      1   0.333610D+01 -0.532454D-01  0.494849D+01 -0.453626D+01  0.580065D+00
      2  -0.317630D+01  0.715700D+00 -0.453626D+01 -0.161153D+01  0.179295D+01
      3   0.715700D+00 -0.232765D+01  0.580065D+00  0.179295D+01  0.344497D+01
                61            62            63            64            65 
      1  -0.228752D+01  0.117171D+01 -0.465827D+01 -0.650180D+01 -0.209715D+01
      2   0.117171D+01  0.790298D+00  0.452640D+01 -0.209715D+01  0.172437D+01
      3  -0.465827D+01  0.452640D+01  0.190823D+01 -0.231155D+01  0.177718D+00
                66            67            68            69            70 
      1  -0.231155D+01 -0.180433D+01  0.152975D+01  0.335411D+00 -0.395696D+01
      2   0.177718D+00  0.152975D+01  0.293302D+01 -0.131077D+01 -0.896800D-01
      3   0.511872D+00  0.335411D+00 -0.131077D+01 -0.149398D+01 -0.454043D+00
                71            72            73            74            75 
      1  -0.896800D-01 -0.454043D+00 -0.263765D+01 -0.921596D+00 -0.439952D+00
      2  -0.148218D+00 -0.233783D+01 -0.921596D+00 -0.234394D+01 -0.188173D+01
      3  -0.233783D+01  0.592940D+01 -0.439952D+00 -0.188173D+01 -0.180822D+01
                76            77            78            79            80 
      1  -0.138955D+01 -0.408319D+01 -0.142410D+01 -0.218028D+01 -0.293926D+01
      2  -0.408319D+01 -0.851079D+01  0.164933D+01 -0.293926D+01  0.149628D+01
      3  -0.142410D+01  0.164933D+01 -0.123113D+01 -0.344809D+01 -0.334754D+01
                81            82            83            84            85 
      1  -0.344809D+01 -0.749113D+01 -0.461800D+01 -0.409020D+00 -0.452942D+01
      2  -0.334754D+01 -0.461800D+01 -0.347543D+01 -0.245570D+00 -0.447750D+01
      3  -0.461440D+01 -0.409020D+00 -0.245570D+00 -0.651868D+00 -0.659683D+00
                86            87            88            89            90 
      1  -0.447750D+01 -0.659683D+00 -0.312234D+00 -0.502004D+00 -0.112529D+00
      2  -0.508389D+01 -0.601172D+00 -0.502004D+00 -0.830369D+00 -0.160909D+00
      3  -0.601172D+00 -0.661030D+00 -0.112529D+00 -0.160909D+00 -0.110658D+00
                91            92            93            94            95 
      1  -0.129029D+02  0.246785D+01  0.158167D+01  0.253888D+01 -0.211322D+01
      2   0.246785D+01 -0.120618D+01 -0.293529D+00 -0.211322D+01  0.106893D+01
      3   0.158167D+01 -0.293529D+00 -0.103525D+01 -0.642493D+00  0.336830D+00
                96            97            98            99           100 
      1  -0.642493D+00  0.166146D+01 -0.628664D+00 -0.296950D+00  0.536660D+00
      2   0.336830D+00 -0.628664D+00  0.257982D+00  0.127625D+00 -0.139283D+01
      3   0.334328D+00 -0.296950D+00  0.127625D+00  0.240353D+00 -0.325721D+00
               101           102           103           104           105 
      1  -0.139283D+01 -0.325721D+00 -0.957915D+00  0.719771D+00  0.146585D+00
      2   0.131160D+01  0.430706D+00  0.719771D+00 -0.100275D+02 -0.221939D+01
      3   0.430706D+00  0.248592D+00  0.146585D+00 -0.221939D+01 -0.135183D+01
               106           107           108           109           110 
      1  -0.319818D+00  0.433051D+00  0.609586D-02 -0.143387D+01  0.195451D+01
      2   0.433051D+00 -0.237904D+01 -0.631959D+00  0.195451D+01 -0.195734D+01
      3   0.609586D-02 -0.631959D+00 -0.418802D+00  0.508709D+00 -0.519803D+00
               111           112           113           114           115 
      1   0.508709D+00  0.176876D+01 -0.296298D+01 -0.662898D+00  0.471131D+00
      2  -0.519803D+00 -0.296298D+01  0.988113D+01  0.203891D+01 -0.789725D+00
      3  -0.369166D+00 -0.662898D+00  0.203891D+01  0.129632D+01 -0.276537D+00
               116           117           118           119           120 
      1  -0.789725D+00 -0.276537D+00  0.224118D+01 -0.152545D+01 -0.149559D+01
      2   0.210416D+01  0.582992D+00 -0.152545D+01  0.111972D+01  0.448519D+00
      3   0.582992D+00  0.388818D+00 -0.149559D+01  0.448519D+00  0.146193D+01
               121           122           123           124           125 
      1  -0.343228D+01  0.243671D+01  0.103405D+01 -0.262976D+01  0.131627D+01
      2   0.243671D+01 -0.323716D+01 -0.227811D+01  0.131627D+01 -0.246398D+01
      3   0.103405D+01 -0.227811D+01 -0.299305D+01  0.276179D+01 -0.302427D+01
               126           127           128           129           130 
      1   0.276179D+01 -0.889375D+01  0.192368D+01  0.546650D+00 -0.154481D+01
      2  -0.302427D+01  0.192368D+01  0.279309D+01 -0.121603D+01  0.323194D+01
      3  -0.560151D+01  0.546650D+00 -0.121603D+01  0.211492D+01 -0.143635D+01
               131           132           133           134           135 
      1   0.323194D+01 -0.143635D+01  0.580795D+01 -0.262975D+01  0.317516D+01
      2   0.354554D+01 -0.150867D+01 -0.262975D+01 -0.466758D-01 -0.363533D+01
      3  -0.150867D+01 -0.316899D+01  0.317516D+01 -0.363533D+01 -0.178674D+01
               136           137           138           139           140 
      1   0.118078D+01  0.567921D+00 -0.994921D+00  0.537124D+00  0.396650D+00
      2   0.567921D+00 -0.137483D+00 -0.215187D+00  0.396650D+00  0.854437D+00
      3  -0.994921D+00 -0.215187D+00  0.211978D+00 -0.510867D+00 -0.128088D+01
               141           142           143           144           145 
      1  -0.510867D+00 -0.150553D+01 -0.610751D+00  0.225231D+01  0.109935D+02
      2  -0.128088D+01 -0.610751D+00 -0.189046D+01  0.250333D+01  0.213569D+01
      3   0.165435D+01  0.225231D+01  0.250333D+01 -0.880378D+01  0.958290D+00
               146           147           148           149           150 
      1   0.213569D+01  0.958290D+00  0.143531D+01  0.136540D+01  0.236398D-01
      2   0.140380D+01 -0.467788D-01  0.136540D+01  0.515283D+00  0.315576D+00
      3  -0.467788D-01  0.116329D+01  0.236398D-01  0.315576D+00  0.306344D+00
               151           152           153           154           155 
      1   0.325375D+01  0.567634D+00  0.155052D+01 -0.908072D-01  0.922520D+00
      2   0.567634D+00  0.674655D+00  0.539728D+00  0.922520D+00 -0.765789D+00
      3   0.155052D+01  0.539728D+00  0.444255D-01 -0.372709D+00  0.218374D+00
               156           157           158           159           160 
      1  -0.372709D+00  0.204962D+01  0.205364D+01 -0.220235D+00 -0.388147D+00
      2   0.218374D+00  0.205364D+01  0.110322D+02 -0.201151D+01 -0.136255D+00
      3   0.139698D+00 -0.220235D+00 -0.201151D+01  0.133431D+01  0.779278D+00
               161           162           163           164           165 
      1  -0.136255D+00  0.779278D+00  0.252578D+01  0.124886D+01  0.162469D+01
      2  -0.344407D+01  0.226627D+01  0.124886D+01  0.936962D+00  0.900947D+00
      3   0.226627D+01 -0.696472D+00  0.162469D+01  0.900947D+00  0.149922D+01
               166           167           168           169           170 
      1   0.911316D+00  0.181101D+01  0.755094D+00  0.431192D+01  0.280516D+01
      2   0.181101D+01  0.309893D+01  0.152196D+01  0.280516D+01  0.337478D+01
      3   0.755094D+00  0.152196D+01  0.125210D+01  0.303858D+01  0.360279D+01
               171           172           173           174           175 
      1   0.303858D+01  0.515269D+00  0.268633D+00  0.616519D+00  0.104795D+01
      2   0.360279D+01  0.268633D+00 -0.587704D+00  0.126039D+00 -0.428945D+00
      3   0.689214D+01  0.616519D+00  0.126039D+00 -0.976054D+00  0.483983D+00
               176           177           178           179           180 
      1  -0.428945D+00  0.483983D+00  0.903412D+00  0.352948D-01  0.405056D+00
      2   0.100711D+01  0.114681D+01  0.352948D-01  0.143894D+01  0.115804D+01
      3   0.114681D+01  0.272490D+01  0.405056D+00  0.115804D+01  0.608132D+01
               181           182           183           184           185 
      1   0.134761D+02 -0.328525D+01  0.100601D+01 -0.133529D+01  0.142108D+01
      2  -0.328525D+01  0.176041D+01 -0.415818D+00  0.142108D+01 -0.124664D+01
      3   0.100601D+01 -0.415818D+00  0.127470D+01  0.100840D+00  0.216526D+00
               186           187           188           189           190 
      1   0.100840D+00 -0.152190D+01  0.548766D+00  0.959002D+00 -0.205444D+00
      2   0.216526D+00  0.548766D+00 -0.435515D+00  0.639124D-01 -0.103701D+01
      3   0.187278D+00  0.959002D+00  0.639124D-01  0.350966D-01  0.458202D-01
               191           192           193           194           195 
      1  -0.103701D+01  0.458202D-01 -0.142580D+01 -0.328480D+00  0.176722D-01
      2  -0.218989D+01  0.816585D+00 -0.328480D+00 -0.777133D+01  0.201719D+01
      3   0.816585D+00 -0.100317D+01  0.176722D-01  0.201719D+01 -0.130678D+01
               196           197           198 
      1  -0.384807D+00  0.283852D+00 -0.303473D+00
      2   0.283852D+00  0.113955D+01 -0.101150D+01
      3  -0.303473D+00 -0.101150D+01  0.104007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201276D+01  0.561505D+00 -0.280405D+01  0.272783D+01 -0.590961D+00
      2   0.239300D+01  0.175020D+01  0.393818D+01 -0.268545D+01 -0.242187D+01
      3  -0.699759D+01 -0.103016D+02 -0.124768D+01  0.875117D+01 -0.312442D+01
                 6             7             8             9            10 
      1  -0.809709D+00 -0.794461D+01  0.528870D+01  0.206244D+01  0.600111D+00
      2   0.426909D+01 -0.708091D+00  0.108800D+02  0.306290D+01 -0.978680D+00
      3   0.102752D+01  0.264252D+01  0.345340D+01 -0.476646D+01  0.528634D+01
                11            12            13            14            15 
      1   0.591008D+00  0.130396D+01 -0.232958D+00 -0.264651D+01  0.887091D+00
      2   0.192339D+00  0.572223D+01 -0.378622D+01  0.571306D+00 -0.146945D+01
      3  -0.849203D+01 -0.562387D+00  0.116313D+02  0.382010D+01 -0.145705D+01
                16            17            18            19            20 
      1   0.435440D+01  0.112191D+02  0.216428D+01  0.756826D+00 -0.975056D+00
      2   0.743735D+01 -0.521047D+01 -0.376887D+01 -0.478535D+01  0.312630D+01
      3   0.381119D+01 -0.148980D+01  0.217753D+01  0.941049D+01 -0.714889D+01
                21            22            23            24            25 
      1   0.180091D+01 -0.745104D+00  0.100125D+01 -0.285775D+01  0.369660D+01
      2  -0.495348D+00  0.181255D+01  0.603873D+00  0.191959D+01 -0.139911D+02
      3  -0.344444D+01  0.591505D+01 -0.730836D+01  0.187649D+00 -0.358429D+01
                26            27            28            29            30 
      1   0.948044D-01 -0.996429D+00  0.400852D+00  0.131459D+00  0.167346D+01
      2   0.327249D+01  0.363759D+01  0.257152D+01 -0.382342D+01 -0.184087D+01
      3   0.130011D+01 -0.580349D+01 -0.572189D+01  0.134475D+02  0.191788D+01
                31            32            33            34            35 
      1   0.310442D+00 -0.329538D+01 -0.101802D+01  0.410927D+01  0.987679D+01
      2  -0.204361D+01  0.101776D+01  0.234553D+00 -0.143383D+02 -0.381347D+00
      3   0.120401D+02 -0.110980D+02  0.121303D+01 -0.549408D+00 -0.174549D+01
                36            37            38            39            40 
      1   0.410464D+00 -0.217702D+01 -0.471452D+00 -0.100175D+01  0.646517D+00
      2   0.638666D+00 -0.801026D-01  0.185163D+00 -0.123121D+01  0.389192D+01
      3  -0.257332D+01 -0.254460D+01  0.951746D+01  0.265669D+01  0.122578D+02
                41            42            43            44            45 
      1  -0.797407D+00 -0.732410D+00 -0.468765D+01  0.793476D+01  0.185274D+01
      2  -0.310239D+01 -0.131275D+01 -0.138623D+02 -0.877454D+00  0.594531D+00
      3   0.201438D+02  0.156407D+01 -0.845744D+00  0.325668D+01  0.487120D+01
                46            47            48            49            50 
      1   0.957885D+00 -0.107227D+01 -0.636087D+00 -0.558540D+00 -0.872931D-01
      2   0.579778D+00  0.180262D+01  0.226155D+00  0.244279D+01  0.218167D+01
      3  -0.482445D+01 -0.154024D+02 -0.214185D+01  0.271015D+00  0.316183D+01
                51            52            53            54            55 
      1  -0.246931D+01  0.290695D+01  0.461265D+00 -0.834636D+00 -0.190335D+01
      2  -0.376330D+01 -0.110923D+02 -0.891380D+01 -0.371677D+01 -0.707435D+00
      3  -0.152544D+01 -0.228383D+01 -0.226988D+01  0.548216D+01 -0.159768D+00
                56            57            58            59            60 
      1   0.573307D+00 -0.281039D+01  0.996640D-01  0.459605D+01  0.254013D+00
      2   0.317551D+01 -0.812721D+00  0.401169D+01  0.390363D+00  0.648383D+01
      3  -0.449360D+01  0.801493D+00  0.100513D+02  0.125276D+02 -0.515014D+01
                61            62            63            64            65 
      1  -0.653797D+01  0.733693D+01  0.607707D+00  0.431928D+01 -0.207483D+01
      2  -0.155354D+02  0.979283D+01  0.153717D+01 -0.126818D+02 -0.913676D+00
      3   0.243124D+01 -0.580426D+01 -0.459594D+01  0.945854D-02 -0.108849D+02
                66            67            68            69            70 
      1  -0.564957D+00 -0.722845D+00 -0.239285D+01  0.111065D+01  0.114958D+01
      2   0.132712D+01  0.359498D+00 -0.494625D+00 -0.403504D+01 -0.931754D+01
      3  -0.360124D+01 -0.673553D+01 -0.737997D+01  0.497756D+01 -0.658801D+01
                71            72            73            74            75 
      1   0.559506D+01 -0.460983D+01  0.181828D+01  0.510737D+01  0.379179D+01
      2  -0.728182D+01  0.130836D+02  0.163333D+00 -0.148894D+01 -0.823686D-02
      3   0.358913D+01  0.534080D+01 -0.501381D+01 -0.431598D+01  0.897297D+00
                76            77            78            79            80 
      1   0.188187D+01 -0.874463D+01  0.888442D+00  0.109240D+02  0.136144D+02
      2  -0.172389D+01  0.300389D+01 -0.185580D-01 -0.837990D+01 -0.282602D+01
      3   0.113660D+02 -0.951973D+00 -0.771329D+01 -0.803017D+00 -0.138316D+02
                81            82            83            84            85 
      1   0.100612D+02  0.249096D+00  0.484272D+00 -0.234082D+01 -0.401257D+00
      2  -0.357452D+01 -0.458096D+00 -0.427010D+00  0.364092D+01  0.886817D+00
      3  -0.566833D+01 -0.190250D+01 -0.539798D+01  0.570638D-01 -0.426004D+01
                86            87            88            89            90 
      1  -0.253011D-01 -0.254786D+01  0.112907D+01  0.115853D+01 -0.200263D+00
      2   0.909707D+00  0.317009D+01 -0.119099D+01 -0.831515D+00  0.169222D+00
      3  -0.909073D+01 -0.755792D+00 -0.987427D+00 -0.151711D+01 -0.243270D-01
                91            92            93            94            95 
      1  -0.192150D+00 -0.575949D+00  0.117422D+01 -0.521557D-01  0.199700D+00
      2  -0.188181D+01  0.316540D+00  0.599939D+01  0.156714D+01 -0.751282D+00
      3   0.204040D+01 -0.537219D+01 -0.220026D+00 -0.423171D+01  0.293591D+01
                96            97            98            99           100 
      1  -0.635754D+00 -0.810188D+00  0.461717D+00 -0.133537D+00  0.299681D+00
      2  -0.173462D+01 -0.178986D+01  0.415393D+00 -0.675452D+00  0.722904D+00
      3   0.721182D+00 -0.183522D+01  0.144537D+01  0.200798D+00 -0.388141D+01
               101           102           103           104           105 
      1   0.617589D-01  0.988347D+00 -0.268554D+00  0.847173D+00 -0.458911D+01
      2  -0.997163D+00 -0.105558D+00 -0.130586D+01  0.246936D+01  0.783864D+00
      3   0.418992D+01  0.105727D+01  0.609646D+01 -0.128331D+02 -0.295891D+01
               106           107           108           109           110 
      1  -0.339098D+00  0.208717D+01 -0.749020D+00 -0.222435D+00  0.157869D+00
      2  -0.113229D+01  0.670428D+00  0.334941D-01 -0.406054D+00  0.415118D+00
      3   0.146725D+01 -0.341617D+01 -0.440129D+00  0.880578D+00 -0.914383D+00
               111           112           113           114           115 
      1   0.110811D+01  0.131695D+00  0.672144D+00 -0.452500D+01 -0.352023D+00
      2   0.976582D+00  0.143777D+00 -0.323938D+01 -0.283913D+01 -0.621699D+00
      3  -0.266395D+00  0.445600D+00  0.148770D+02  0.297436D+01 -0.158143D+00
               116           117           118           119           120 
      1   0.183970D+01 -0.755421D+00 -0.848473D+00 -0.522483D+00  0.147715D+01
      2  -0.101054D+00 -0.460111D+00 -0.105724D+01  0.326809D+00  0.277880D+01
      3   0.330488D+01  0.322357D+00  0.131771D+01 -0.311435D+01  0.220710D+00
               121           122           123           124           125 
      1   0.340052D+00  0.492488D+00 -0.281452D+01  0.230874D+01  0.783149D+00
      2  -0.993574D-01 -0.264324D+01 -0.534792D+01  0.167483D+01 -0.421340D+01
      3   0.787951D+00  0.340881D+01  0.386319D+01  0.100359D+01  0.483863D+01
               126           127           128           129           130 
      1  -0.389095D+01  0.298691D+01  0.210961D+01  0.281464D+01 -0.171417D+01
      2  -0.842328D+01  0.117283D+02 -0.668448D+01  0.802394D+01 -0.670263D+01
      3   0.394639D+01  0.986024D+01 -0.139805D+02  0.175623D+01 -0.568628D+01
               131           132           133           134           135 
      1   0.397563D+01 -0.113918D+02  0.278719D+01 -0.610766D+01 -0.662931D+01
      2  -0.576567D+01 -0.744899D+01  0.563026D+01 -0.801848D+01 -0.614674D+01
      3  -0.179417D+02  0.735847D+01 -0.283900D+00  0.740319D+01  0.484507D+01
               136           137           138           139           140 
      1   0.944771D-01  0.705025D+00 -0.324458D-01  0.791740D+00  0.458322D-01
      2  -0.490430D+00 -0.135307D+00  0.881273D+00 -0.420763D+00 -0.263991D+01
      3  -0.703019D+00  0.711528D+00 -0.241023D+00  0.290753D+01 -0.114267D+01
               141           142           143           144           145 
      1  -0.121480D+01 -0.137595D+01  0.204854D+01  0.668137D+01 -0.240994D+01
      2   0.340469D+01  0.944266D+00  0.467237D+01 -0.183955D+02  0.920069D+01
      3   0.253163D+01 -0.897175D+00  0.498236D+01 -0.270466D+01  0.674616D+01
               146           147           148           149           150 
      1  -0.815245D+00 -0.158837D+01 -0.830144D+00 -0.471094D+00 -0.131299D+01
      2   0.123598D+01  0.625100D+01  0.101894D+01  0.163993D+01  0.106734D+01
      3  -0.533244D+01  0.119298D+01 -0.833907D+00  0.261074D+00 -0.131682D+01
               151           152           153           154           155 
      1  -0.179629D+01 -0.954622D-01 -0.808283D+00  0.449858D+00 -0.947878D+00
      2   0.451661D+01  0.154674D+01  0.175353D+01  0.237866D+00  0.645055D+00
      3   0.243232D+01 -0.276031D+01  0.237231D+00 -0.144685D+01  0.271919D+00
               156           157           158           159           160 
      1  -0.140950D-01  0.204577D+01  0.655245D+01 -0.584588D+01 -0.212775D+01
      2   0.106936D+01 -0.616650D+00 -0.246670D+01  0.135005D+01  0.295063D+00
      3  -0.140837D+01  0.460917D+01 -0.885110D+01  0.237163D+01 -0.204314D+01
               161           162           163           164           165 
      1  -0.456130D+01  0.237409D+01 -0.337622D+01 -0.125304D+01 -0.354584D+01
      2   0.158651D+01 -0.847351D+00 -0.497238D+00  0.676603D+00  0.240151D+01
      3   0.497301D+01 -0.933458D+00  0.634361D+01  0.376698D+00  0.239273D+01
               166           167           168           169           170 
      1  -0.139541D+01 -0.172670D+01 -0.322257D+01 -0.716300D+01 -0.558904D+01
      2   0.649030D+00  0.107476D+01  0.150850D+01  0.130474D+01  0.309557D+01
      3  -0.370151D+00 -0.995878D-01  0.115405D+00  0.705657D+01  0.230399D+01
               171           172           173           174           175 
      1  -0.157507D+02  0.135102D+01 -0.146159D+01 -0.136275D+01 -0.626204D+00
      2   0.661432D+01  0.168312D+01 -0.263099D+00 -0.218219D+01 -0.923148D+00
      3   0.253923D+01 -0.102307D+01  0.837481D+00 -0.715154D+00  0.114436D+01
               176           177           178           179           180 
      1   0.506267D+01  0.470127D+01 -0.151561D+00  0.659735D+01  0.105567D+02
      2   0.359179D+01  0.644643D+01 -0.295498D+01  0.368933D+01  0.141791D+02
      3  -0.266487D+01 -0.356274D+01 -0.628899D+00 -0.420882D+01 -0.372336D+01
               181           182           183           184           185 
      1   0.198694D+00  0.101998D+01  0.241709D+01  0.935684D+00 -0.571076D+00
      2  -0.786933D+01  0.907434D+00  0.593137D+01  0.136749D+01 -0.852530D-01
      3  -0.139520D+02 -0.305640D+01 -0.216531D+00 -0.130684D-01  0.170904D+01
               186           187           188           189           190 
      1  -0.223569D+00  0.122291D+01  0.100672D+01  0.168437D+00 -0.134062D+01
      2   0.165883D+00  0.145320D+01  0.385827D+00 -0.585739D+00  0.144612D+01
      3  -0.514746D+00  0.585662D+00 -0.224234D+00 -0.192675D+01  0.543156D+01
               191           192           193           194           195 
      1  -0.133336D+01 -0.184814D+01 -0.119709D+01 -0.480157D+01 -0.267544D+01
      2   0.268280D+01 -0.144669D+01  0.215594D+01  0.615591D+01 -0.283417D+01
      3   0.694185D+01 -0.158747D+01  0.707673D+01  0.204872D+02 -0.511887D+01
               196           197           198 
      1  -0.458210D+00  0.862027D+00  0.112114D+01
      2  -0.156232D+01 -0.219807D+01  0.245833D+01
      3   0.578540D-01 -0.358305D+01  0.319745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.310169D+01 -0.210209D+02 -0.327560D+01  0.268283D+02  0.691927D-01
      2  -0.197109D+01  0.147921D+02 -0.330287D+00 -0.257632D+02 -0.404691D+01
      3   0.507278D+01  0.622876D+01  0.360588D+01 -0.106508D+01  0.397771D+01
      4  -0.209046D+02  0.935822D+01  0.484648D+01  0.541433D+00 -0.163203D+02
      5   0.969190D+00  0.300653D+01  0.881087D+01 -0.693186D+01 -0.770152D+01
      6   0.219296D+01  0.313947D+01  0.669833D+01 -0.754143D+01 -0.413677D+01
                 6             7             8             9            10 
      1  -0.153957D+01  0.109207D+02  0.352585D+01  0.681798D+01 -0.125364D+02
      2   0.238491D+01 -0.121135D+02 -0.558644D+01 -0.106913D+02  0.826548D+01
      3  -0.845343D+00  0.119277D+01  0.206059D+01  0.387333D+01  0.427094D+01
      4  -0.970451D+01 -0.148087D+01 -0.103073D+02  0.134447D+02  0.835073D+01
      5   0.883615D+01  0.257437D+02  0.158997D+02  0.617864D+01  0.696578D+01
      6   0.265374D+01  0.881820D+01  0.107037D+02 -0.302357D+01  0.740571D+00
                11            12            13            14            15 
      1   0.672963D+01  0.726859D+01 -0.197785D+02 -0.192460D+02 -0.650926D+01
      2  -0.413786D+01 -0.338656D+01  0.166991D+02  0.175369D+02  0.747314D+01
      3  -0.259177D+01 -0.388202D+01  0.307935D+01  0.170911D+01 -0.963875D+00
      4   0.221835D+02  0.320785D+00 -0.190901D+02  0.125132D+02  0.761077D+01
      5   0.159307D+00  0.125929D+02 -0.113464D+02  0.514371D+01 -0.287188D+01
      6  -0.551150D+00 -0.303863D+01  0.641908D+01  0.343312D+01 -0.153871D+01
                16            17            18            19            20 
      1   0.471726D+01 -0.955448D+01  0.135268D+02  0.978792D+01  0.337581D+01
      2   0.182717D+01  0.712908D+01 -0.177783D+02 -0.802656D+01 -0.581819D+01
      3  -0.654443D+01  0.242540D+01  0.425149D+01 -0.176136D+01  0.244238D+01
      4  -0.135331D+02  0.371563D+01 -0.369560D+01  0.100530D+02 -0.218424D+02
      5   0.337264D+02 -0.591151D+01 -0.776189D+01 -0.115508D+01 -0.170227D+01
      6  -0.203263D+01  0.500996D+01 -0.299372D+01 -0.883639D+00  0.122004D+01
                21            22            23            24            25 
      1  -0.158818D+01  0.601902D+01  0.118365D+02  0.590827D+01 -0.185380D+01
      2   0.129151D+01  0.847891D+00 -0.170124D+02 -0.851552D+01  0.230383D+01
      3   0.296670D+00 -0.686691D+01  0.517595D+01  0.260725D+01 -0.450022D+00
      4  -0.389004D+01  0.178487D+02  0.979362D+01  0.164413D+00  0.105749D+01
      5  -0.370418D+01  0.456661D+00  0.712146D+00  0.217136D+01  0.156935D+01
      6  -0.345913D+01  0.324022D+01 -0.130325D+02  0.355252D+01  0.221155D-01
                26            27            28            29            30 
      1   0.469374D+01 -0.145389D+02 -0.216162D+02  0.903369D+01  0.237583D+01
      2  -0.116207D+02  0.197928D+01  0.127853D+02 -0.525276D+01 -0.462326D+00
      3   0.692691D+01  0.125596D+02  0.883088D+01 -0.378093D+01 -0.191351D+01
      4   0.285860D+01  0.929550D+01 -0.132386D+02  0.112593D+02  0.269903D+00
      5   0.812507D+01  0.745576D+01  0.442846D+01 -0.174218D+01 -0.848485D+00
      6   0.148753D+02  0.614726D+01 -0.355900D+01 -0.784105D-01 -0.242737D+01
                31            32            33            34            35 
      1  -0.208262D+01 -0.218517D+01  0.543744D-01  0.801919D+01 -0.104617D+01
      2   0.736509D+01  0.769502D+01  0.189796D+01 -0.995927D+00 -0.945202D-01
      3  -0.528247D+01 -0.550985D+01 -0.195233D+01 -0.702326D+01  0.114069D+01
      4  -0.469669D+01  0.783796D+01  0.112068D+01 -0.456436D+01  0.120305D+01
      5  -0.284107D+01 -0.444072D+00 -0.937166D+00  0.402522D+01 -0.938250D+00
      6   0.534797D+01  0.243555D+01  0.191751D+01 -0.188000D+01  0.592474D+01
                36            37            38            39            40 
      1  -0.953052D+01 -0.166035D+02 -0.250738D+02 -0.481570D+01 -0.714950D+01
      2  -0.366392D+01  0.124486D+02  0.187678D+02  0.311071D+01 -0.246223D+01
      3   0.131944D+02  0.415485D+01  0.630606D+01  0.170499D+01  0.961173D+01
      4  -0.357709D+01 -0.353576D+01 -0.351627D+01  0.208013D+01  0.348438D+01
      5   0.943010D+00 -0.558844D+00  0.237517D+01 -0.339463D+00  0.475298D+01
      6  -0.107673D+01  0.649145D+01  0.427364D+01  0.206662D+01 -0.637689D+01
                41            42            43            44            45 
      1  -0.974658D+01  0.255635D+01 -0.191518D+00  0.584541D+01 -0.101060D+02
      2   0.100380D+02  0.401902D+00 -0.148843D+01 -0.393341D+01  0.544619D+00
      3  -0.291462D+00 -0.295825D+01  0.167995D+01 -0.191199D+01  0.956141D+01
      4  -0.575053D+01 -0.229619D+01  0.161091D+01 -0.671968D+00 -0.102320D+01
      5  -0.181870D+01 -0.125222D+01  0.444111D+01 -0.251400D+01  0.941394D+00
      6   0.175514D+00  0.267486D+01  0.109142D+01  0.799155D+01 -0.200077D+01
                46            47            48            49            50 
      1   0.157796D+02  0.163611D+02 -0.675845D+00 -0.188619D+02  0.148354D+02
      2  -0.143194D+02 -0.113699D+02 -0.542266D+00  0.154874D+02 -0.206057D+02
      3  -0.146019D+01 -0.499118D+01  0.121811D+01  0.337445D+01  0.577027D+01
      4   0.433040D+01 -0.158441D+02 -0.599216D+01  0.112331D+02 -0.212979D+00
      5   0.346231D+01 -0.523759D+01 -0.273108D+01  0.141870D+01  0.436819D+01
      6  -0.710420D+01  0.200334D+01  0.165557D+00  0.354073D+01 -0.113059D+02
                51            52            53            54            55 
      1   0.448329D+01 -0.590710D+01 -0.823774D+00 -0.733260D+01  0.204167D+02
      2  -0.706365D+01  0.789909D+01 -0.815678D+01 -0.305786D+01 -0.980633D+01
      3   0.258035D+01 -0.199199D+01  0.898056D+01  0.103905D+02 -0.106104D+02
      4   0.463916D+01 -0.245563D+01  0.106829D+02 -0.144702D+02  0.121037D+02
      5  -0.677812D+01  0.814554D+01 -0.136803D+02 -0.760939D+01 -0.139318D+01
      6   0.346838D+01 -0.526685D+01  0.135146D+02  0.354222D+01  0.313058D+01
                56            57            58            59            60 
      1  -0.539292D+01  0.309877D+01 -0.457350D+01 -0.537787D+01  0.434313D+01
      2   0.284323D+01 -0.171939D+01 -0.382944D+00  0.482848D+01 -0.392931D+01
      3   0.254969D+01 -0.137937D+01  0.495645D+01  0.549386D+00 -0.413820D+00
      4  -0.124929D+02  0.265805D+01 -0.243610D+02 -0.544318D+01  0.625790D+01
      5   0.326197D+01 -0.102360D+02  0.490120D+01  0.766032D+01  0.152807D+02
      6  -0.138141D+01  0.783554D+01  0.284135D+01 -0.455981D+01 -0.130135D+02
                61            62            63            64            65 
      1  -0.539436D+01  0.626372D+01  0.219479D+01 -0.346726D+02 -0.123338D+02
      2  -0.462813D+00  0.300392D+00 -0.140884D+01  0.110321D+02  0.905530D+01
      3   0.585718D+01 -0.656412D+01 -0.785945D+00  0.236405D+02  0.327852D+01
      4   0.105971D+02 -0.197711D+00  0.233209D+02 -0.162827D+02  0.572671D+00
      5  -0.239634D+02  0.210068D+02  0.664995D+01 -0.111845D+02 -0.984733D-01
      6   0.187200D+02 -0.159432D+02 -0.959518D+01 -0.391878D+01  0.285530D+00
                66            67            68            69            70 
      1  -0.115143D+02 -0.102288D+02  0.642479D+01 -0.149311D-02 -0.211459D+02
      2   0.708089D+01  0.920093D+01  0.913982D+00 -0.618337D+01  0.890186D+01
      3   0.443343D+01  0.102786D+01 -0.733877D+01  0.618487D+01  0.122440D+02
      4  -0.320022D+01  0.431184D+01  0.135666D+02 -0.382448D+01 -0.682858D+01
      5   0.257381D+01  0.217426D+01 -0.631516D+01 -0.657296D+01 -0.166364D+01
      6   0.574840D-01 -0.202492D+01 -0.215608D+01 -0.333861D+01 -0.334259D+01
                71            72            73            74            75 
      1  -0.217501D+01  0.622090D+01  0.431641D+01  0.114066D+02  0.842323D+01
      2  -0.874105D+01  0.122659D+02  0.328462D+01 -0.460947D+01 -0.690007D+01
      3   0.109161D+02 -0.184868D+02 -0.760102D+01 -0.679711D+01 -0.152316D+01
      4   0.164959D+01 -0.115258D+02  0.248133D+01  0.712817D+00 -0.289571D+01
      5  -0.103972D+02  0.248267D+02  0.120091D-01 -0.473495D+01 -0.690471D+01
      6  -0.121796D+01  0.173644D+02 -0.410939D+01 -0.840471D+01 -0.721880D+01
                76            77            78            79            80 
      1   0.207954D+02  0.278881D+02 -0.778008D+01  0.141139D+02 -0.650305D+01
      2  -0.183106D+02 -0.407326D+02  0.138203D+02 -0.634153D+01  0.195598D+02
      3  -0.248480D+01  0.128445D+02 -0.604022D+01 -0.777241D+01 -0.130568D+02
      4  -0.339533D+01 -0.110044D+02  0.152182D+01 -0.699268D+01 -0.216009D+01
      5  -0.698309D+01  0.236075D+01 -0.237019D+01 -0.117714D+02 -0.956497D+01
      6  -0.310269D+01  0.127652D+02 -0.622934D+01 -0.165808D+02 -0.184017D+02
                81            82            83            84            85 
      1   0.123532D+02  0.396353D+02  0.210715D+02  0.235036D+01  0.161551D+02
      2  -0.728239D+01 -0.132206D+02 -0.371032D+01 -0.107131D+01  0.205067D+01
      3  -0.507081D+01 -0.264147D+02 -0.173612D+02 -0.127905D+01 -0.182058D+02
      4  -0.108531D+02  0.433460D+02  0.326504D+02  0.243599D+01  0.372959D+02
      5  -0.152858D+02  0.514922D+01  0.271577D+01  0.688155D+01  0.542355D+01
      6  -0.197389D+02  0.645825D+00  0.525746D+00  0.316653D+01  0.241973D+01
                86            87            88            89            90 
      1   0.108733D+02  0.161086D+01  0.221433D+00  0.446811D+00  0.665206D+00
      2   0.779794D+01 -0.480985D+00  0.110343D+01  0.104483D+01  0.231469D+00
      3  -0.186712D+02 -0.112988D+01 -0.132486D+01 -0.149164D+01 -0.896675D+00
      4   0.389070D+02  0.427154D+01  0.413179D+01  0.447110D+01  0.308094D+01
      5   0.499610D+01  0.509301D+01  0.278248D+01  0.197683D+01  0.870009D+00
      6   0.229853D+01  0.441669D+01  0.177633D+01  0.215477D+01  0.116491D+01
                91            92            93            94            95 
      1   0.933033D+02 -0.167359D+02 -0.983981D+01 -0.151234D+02  0.114239D+02
      2  -0.527311D+02  0.845913D+01  0.672490D+01  0.661659D+01 -0.490652D+01
      3  -0.405723D+02  0.827674D+01  0.311492D+01  0.850684D+01 -0.651739D+01
      4  -0.266290D+02  0.129929D+02  0.283314D+01  0.200514D+02 -0.951348D+01
      5  -0.150592D+02  0.268601D+01  0.110834D+02  0.524657D+01 -0.293022D+01
      6   0.207868D-01 -0.631338D+00 -0.132358D+01 -0.169413D+01  0.615735D+00
                96            97            98            99           100 
      1   0.285172D+01 -0.114855D+02  0.355097D+01  0.397274D+01 -0.423231D+01
      2  -0.201268D+01  0.662512D+01 -0.201717D+01 -0.269030D+01  0.577784D+01
      3  -0.839032D+00  0.486036D+01 -0.153380D+01 -0.128244D+01 -0.154553D+01
      4  -0.277703D+01  0.596177D+01 -0.293327D+01 -0.220232D+01 -0.132422D+00
      5  -0.283039D+01  0.537547D+01 -0.127823D+01 -0.272387D+01  0.128286D+00
      6   0.205898D+01 -0.905130D+00  0.113471D+01  0.721888D+00  0.215291D+01
               101           102           103           104           105 
      1   0.717337D+01  0.241955D+01  0.400641D+01 -0.396177D+02 -0.928739D+01
      2  -0.731518D+01 -0.175525D+01 -0.403092D+01  0.539131D+02  0.947898D+01
      3   0.141807D+00 -0.664299D+00  0.245079D-01 -0.142954D+02 -0.191596D+00
      4   0.750775D+01  0.127096D+01  0.552031D+01  0.114476D+02  0.295514D+01
      5   0.103149D+01  0.142698D+01  0.990505D+00  0.376351D+01  0.200287D+01
      6  -0.302028D+01 -0.157432D+01 -0.889767D+00  0.164413D+02  0.102200D+02
               106           107           108           109           110 
      1   0.110644D+01 -0.924886D+01 -0.402494D+01  0.176889D+01 -0.280997D+01
      2  -0.112373D+01  0.110341D+02  0.404546D+01  0.357478D+01 -0.340840D+01
      3   0.172857D-01 -0.178522D+01 -0.205183D-01 -0.534367D+01  0.621837D+01
      4   0.123265D+01  0.200804D+01 -0.585727D+00 -0.127975D+02  0.170634D+02
      5   0.839632D+00  0.418375D+00 -0.118249D+00 -0.293874D+01  0.369676D+01
      6  -0.342375D+00  0.642617D+01  0.400628D+01  0.261614D+01 -0.287610D+01
               111           112           113           114           115 
      1  -0.462769D+00  0.251927D+01 -0.240222D+02 -0.509396D+01  0.134277D+00
      2  -0.236306D+00 -0.984299D+01  0.430737D+02  0.629819D+01 -0.166425D+01
      3   0.699076D+00  0.732372D+01 -0.190515D+02 -0.120423D+01  0.152997D+01
      4   0.391231D+01  0.189277D+02 -0.425058D+02 -0.867472D+01  0.478307D+01
      5   0.345888D+01  0.378491D+01 -0.779619D+01 -0.535148D+01  0.162933D+01
      6  -0.213346D+01 -0.429416D+01  0.135295D+02  0.936787D+01 -0.178856D+01
               116           117           118           119           120 
      1  -0.427350D+01 -0.318250D+01  0.437093D+01 -0.190541D+01 -0.325339D+01
      2   0.720334D+01  0.358083D+01 -0.366125D+01  0.108885D+01  0.271213D+01
      3  -0.292984D+01 -0.398331D+00 -0.709678D+00  0.816566D+00  0.541264D+00
      4  -0.982031D+01 -0.284258D+01 -0.875392D+01  0.961299D+01  0.464954D+01
      5  -0.254802D+01 -0.168436D+01 -0.864770D+01  0.409411D+01  0.112556D+02
      6   0.592125D+01  0.378266D+01  0.568494D+01 -0.277792D+01 -0.439908D+01
               121           122           123           124           125 
      1   0.890311D+00 -0.592162D+01 -0.569618D+01 -0.642731D+00 -0.567289D+01
      2  -0.959091D+00  0.581565D+01  0.295949D+01  0.391563D+01  0.341062D+00
      3   0.687791D-01  0.105973D+00  0.273670D+01 -0.327290D+01  0.533183D+01
      4   0.143809D+02 -0.144888D+02 -0.970168D+01  0.824165D+01 -0.103691D+02
      5   0.623405D+01 -0.975135D+01 -0.126342D+02  0.165714D+02 -0.127283D+02
      6  -0.602794D+01  0.128017D+02  0.148096D+02 -0.992410D+01  0.145502D+02
               126           127           128           129           130 
      1  -0.978537D+01 -0.557519D+02  0.226197D+02 -0.497216D+01  0.130410D+02
      2  -0.577971D+01  0.220039D+02 -0.194737D+02  0.786648D+00 -0.103502D+02
      3   0.155651D+02  0.337481D+02 -0.314607D+01  0.418551D+01 -0.269072D+01
      4  -0.131719D+02  0.293530D+02  0.593990D+01 -0.447129D+01  0.124966D+02
      5  -0.232744D+02 -0.684279D+01 -0.144505D+01  0.102315D+02 -0.528253D+01
      6   0.199596D+02 -0.157894D+01  0.764041D+01 -0.540227D+01  0.680819D+01
               131           132           133           134           135 
      1   0.233130D+02 -0.127859D+01  0.354977D+01 -0.258622D+01  0.764909D+01
      2  -0.251365D+02  0.157986D+02 -0.343065D+01  0.121955D+02  0.786751D+01
      3   0.182346D+01 -0.145200D+02 -0.119126D+00 -0.960925D+01 -0.155166D+02
      4   0.540376D+01 -0.462346D+01 -0.159302D+02  0.159704D+01 -0.219992D+02
      5  -0.661037D+00 -0.146895D+02  0.188351D+02 -0.185511D+02 -0.354165D+01
      6   0.923763D+01  0.495323D+01 -0.129098D+02  0.783534D+01 -0.416732D+01
               136           137           138           139           140 
      1   0.460868D+01  0.349096D+01 -0.424597D+01  0.144798D+01 -0.510923D+01
      2  -0.470055D+01 -0.229924D+01  0.256163D+01 -0.125491D+01  0.113499D+01
      3   0.918686D-01 -0.119172D+01  0.168434D+01 -0.193074D+00  0.397424D+01
      4   0.409660D+01  0.156271D+01 -0.306313D+01  0.434287D+01  0.375763D+01
      5  -0.532889D+01 -0.254125D+01  0.667273D+01 -0.334443D+01 -0.539652D+01
      6  -0.280784D+01 -0.442054D+00 -0.789129D-02 -0.232510D+01 -0.636584D+01
               141           142           143           144           145 
      1   0.354159D+01 -0.334424D+01  0.448170D+01 -0.137166D+02  0.665865D+02
      2  -0.234442D+00  0.807371D+01  0.220978D+01 -0.200125D+02 -0.321255D+02
      3  -0.330714D+01 -0.472947D+01 -0.669148D+01  0.337291D+02 -0.344610D+02
      4  -0.633423D+01 -0.609459D+01 -0.935977D+01  0.122945D+02  0.264450D+02
      5   0.678778D+01  0.155649D+02  0.111063D+02 -0.380220D+02  0.220935D+01
      6   0.109016D+02  0.633663D+01  0.103725D+02 -0.224150D+02  0.870131D+00
               146           147           148           149           150 
      1   0.101652D+02  0.623639D+01  0.568583D+01  0.605986D+01  0.163152D+00
      2  -0.313765D+01 -0.217606D+01 -0.196177D+00 -0.608114D+00  0.129489D+01
      3  -0.702758D+01 -0.406033D+01 -0.548966D+01 -0.545174D+01 -0.145804D+01
      4   0.143793D+02  0.141192D+01  0.129751D+02  0.551877D+01  0.200942D+01
      5  -0.500274D+00  0.887268D+01 -0.141077D+00  0.166045D+01  0.157408D+01
      6  -0.222300D+00  0.251630D+01 -0.234503D+00  0.902607D+00  0.204300D+01
               151           152           153           154           155 
      1   0.153350D+02  0.219982D+01  0.617004D+01 -0.632975D+00  0.497395D+01
      2  -0.726967D+01  0.103742D+01 -0.525831D+01  0.355470D+01 -0.558053D+01
      3  -0.806536D+01 -0.323724D+01 -0.911729D+00 -0.292172D+01  0.606588D+00
      4   0.679401D+01  0.464356D+01  0.448258D+01  0.143588D+01  0.812518D+01
      5   0.108252D+02  0.306913D+01  0.218883D+01 -0.630493D+00 -0.669979D+00
      6   0.292904D+01  0.198128D+01 -0.322977D+00 -0.269472D+01  0.138341D+01
               156           157           158           159           160 
      1  -0.226346D+01 -0.491727D+01 -0.411685D+02  0.783085D+01 -0.102568D+01
      2   0.165905D+01  0.862649D+01  0.662139D+02 -0.120432D+02 -0.162528D+01
      3   0.604412D+00 -0.370921D+01 -0.250455D+02  0.421233D+01  0.265096D+01
      4  -0.176484D+01  0.999779D+01  0.184402D+02 -0.306910D+01 -0.334232D+01
      5   0.274580D+01 -0.147359D+01 -0.281237D+01  0.265900D+01  0.382016D+01
      6   0.495843D-01 -0.247090D+01 -0.164870D+02  0.105308D+02  0.465237D+01
               161           162           163           164           165 
      1   0.134933D+02 -0.894138D+01  0.176582D+01 -0.112621D+01 -0.146347D+00
      2  -0.202903D+02  0.950247D+01 -0.350834D+01  0.131405D+01  0.933603D-01
      3   0.679701D+01 -0.561084D+00  0.174252D+01 -0.187848D+00  0.529871D-01
      4  -0.570050D+01  0.414927D+01  0.761873D+01  0.687571D+01  0.652446D+01
      5   0.424548D+01 -0.212045D+00  0.736130D+01  0.506462D+01  0.100796D+02
      6   0.161305D+02 -0.647374D+01  0.706418D+01  0.462748D+01  0.669044D+01
               166           167           168           169           170 
      1  -0.488538D+01 -0.116751D+02 -0.510415D+01 -0.497661D+01 -0.117890D+02
      2   0.633019D+01  0.134499D+02  0.428097D+01  0.317542D+00  0.678768D+01
      3  -0.144481D+01 -0.177488D+01  0.823180D+00  0.465907D+01  0.500134D+01
      4   0.552077D+01  0.831643D+01  0.516053D+01  0.127261D+02  0.110078D+02
      5   0.272135D+01  0.517958D+01  0.422691D+01  0.140457D+02  0.120929D+02
      6   0.457038D+01  0.799273D+01  0.964868D+01  0.141676D+02  0.204618D+02
               171           172           173           174           175 
      1  -0.178824D+02  0.377371D+01 -0.106034D+01  0.560936D+01  0.283927D+01
      2   0.118005D+01 -0.407416D+01  0.183376D+01 -0.357222D+00 -0.206957D+01
      3   0.167024D+02  0.300450D+00 -0.773418D+00 -0.525214D+01 -0.769702D+00
      4   0.117367D+02 -0.695112D+00 -0.143605D+01 -0.682849D+00 -0.170211D+01
      5   0.211265D+02  0.267436D+01  0.116440D+01  0.675314D+00  0.438286D+01
      6   0.307394D+02  0.264909D+00 -0.159447D+01  0.202427D+01 -0.853844D+00
               176           177           178           179           180 
      1  -0.497143D+01 -0.284531D+01  0.479702D+01 -0.151104D+01 -0.134578D+02
      2  -0.139245D+00 -0.900609D+01 -0.342170D+01 -0.695386D+01 -0.175909D+02
      3   0.511068D+01  0.118514D+02 -0.137532D+01  0.846490D+01  0.310487D+02
      4   0.588029D+01  0.542270D+01 -0.158333D+01  0.695539D+01  0.740713D+01
      5   0.377939D+01  0.114657D+02  0.633498D+01  0.464937D+01  0.233254D+02
      6   0.184033D+01  0.794647D+00 -0.442516D+00  0.359961D+01 -0.537670D+01
               181           182           183           184           185 
      1   0.787294D+02 -0.140214D+02  0.195329D+01 -0.506344D+01  0.436068D+01
      2  -0.361114D+02  0.305179D+01 -0.303414D+01 -0.117525D+01  0.179322D+01
      3  -0.426181D+02  0.109696D+02  0.108084D+01  0.623869D+01 -0.615390D+01
      4  -0.434421D+02  0.197174D+02 -0.309670D+01  0.148076D+02 -0.960161D+01
      5   0.187723D+02 -0.483301D+01  0.114077D+02 -0.906166D+00  0.167364D+01
      6  -0.373657D+01  0.300220D+01 -0.473839D+01  0.121081D+01 -0.201485D+01
               186           187           188           189           190 
      1   0.264118D+00 -0.594483D+01  0.966800D+00  0.565665D+01 -0.442012D+00
      2  -0.132558D+01  0.726939D+00 -0.231515D+00 -0.479516D+01  0.390214D+01
      3   0.106146D+01  0.521789D+01 -0.735286D+00 -0.861497D+00 -0.346013D+01
      4   0.907770D+00  0.464189D+01 -0.241824D+01 -0.182219D+01 -0.151326D+01
      5   0.893921D-01  0.917888D+01 -0.619151D+00  0.711364D+00 -0.727592D+00
      6   0.138608D+01 -0.320488D+01  0.123285D+01  0.495492D+00 -0.148230D+01
               191           192           193           194           195 
      1  -0.126683D+02  0.420551D+01 -0.868981D+01 -0.305914D+02  0.792129D+01
      2   0.137809D+02 -0.249329D+01  0.582625D+01  0.440791D+02 -0.808050D+01
      3  -0.111258D+01 -0.171222D+01  0.286356D+01 -0.134877D+02  0.159211D+00
      4  -0.156032D+01  0.125375D+01  0.594901D+01 -0.248526D+02  0.662905D+01
      5  -0.340634D+00 -0.191493D+01 -0.323741D+01  0.432936D+01 -0.389881D+01
      6  -0.612112D+01  0.445227D+01 -0.896674D+00 -0.190002D+02  0.108124D+02
               196           197           198 
      1   0.553506D+00  0.610892D+01 -0.745522D+01
      2  -0.200566D+00 -0.482422D+01  0.408493D+01
      3  -0.352940D+00 -0.128470D+01  0.337029D+01
      4   0.102723D+01  0.314555D+01 -0.144322D+01
      5   0.384002D+00 -0.216954D+01  0.268178D+01
      6   0.179607D+01  0.956408D+01 -0.532912D+01
 Leave Link  716 at Fri Jul 16 13:36:19 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146440D+03  0.168942D+01 -0.233449D+01
      2   0.168942D+01  0.123822D+03  0.541047D+01
      3  -0.233449D+01  0.541047D+01  0.820904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.276324D+01 -0.233801D+01  0.237943D+01
      2   0.105789D+02 -0.152421D+02  0.150744D+02
      3   0.125414D+01  0.345002D+02  0.124554D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.823122D+02 -0.132233D+02  0.896654D+01
      2   0.369526D+02  0.544620D+01 -0.572967D+01
      3   0.453597D+02  0.777709D+01 -0.323687D+01
      4  -0.222338D+02 -0.359900D+02 -0.319963D+02
      5   0.226667D+02 -0.323402D+02  0.410903D+02
      6  -0.144889D+02  0.685079D+01 -0.189033D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.693622D+00 -0.144770D+01 -0.624187D+00 -0.479121D+01  0.500184D+00
      2  -0.144770D+01 -0.224285D+01 -0.700942D+00  0.500184D+00 -0.220941D+01
      3  -0.624187D+00 -0.700942D+00 -0.179220D+01  0.117971D+01  0.850905D+00
                 6             7             8             9            10 
      1   0.117971D+01 -0.169537D+01  0.734023D+00 -0.388685D+01 -0.447216D+01
      2   0.850905D+00  0.734023D+00  0.134527D+01 -0.310670D+01  0.127602D+01
      3  -0.145506D+01 -0.388685D+01 -0.310670D+01 -0.689072D+00 -0.509310D+00
                11            12            13            14            15 
      1   0.127602D+01 -0.509310D+00  0.236403D+01  0.185711D+01  0.126777D+01
      2  -0.257309D+01 -0.848435D-01  0.185711D+01  0.200337D+01 -0.515167D+00
      3  -0.848435D-01 -0.198212D+01  0.126777D+01 -0.515167D+00  0.367765D+00
                16            17            18            19            20 
      1   0.110565D+00  0.148527D+01 -0.500952D+01 -0.153871D+01  0.418418D+01
      2   0.148527D+01  0.306480D+00  0.114132D+01  0.418418D+01  0.105755D+01
      3  -0.500952D+01  0.114132D+01  0.146331D+01  0.510112D+00 -0.221248D+00
                21            22            23            24            25 
      1   0.510112D+00 -0.561050D+01  0.894141D+00 -0.143664D+00 -0.825314D+00
      2  -0.221248D+00  0.894141D+00 -0.187406D+01  0.108471D+01 -0.113030D+01
      3   0.370693D+00 -0.143664D+00  0.108471D+01 -0.144540D+01 -0.279669D+00
                26            27            28            29            30 
      1  -0.113030D+01 -0.279669D+00  0.150774D+02 -0.463660D+01 -0.261623D+00
      2   0.124539D+01 -0.357092D+01 -0.463660D+01  0.476761D+01  0.176661D+00
      3  -0.357092D+01 -0.257162D+01 -0.261623D+00  0.176661D+00  0.154401D+01
                31            32            33            34            35 
      1  -0.888770D+01 -0.188523D+01 -0.603335D+00 -0.182412D+01 -0.120479D+01
      2  -0.188523D+01 -0.834182D+00 -0.693406D-01 -0.120479D+01 -0.603844D+00
      3  -0.603335D+00 -0.693406D-01 -0.231694D+00  0.334403D+01 -0.156227D+01
                36            37            38            39            40 
      1   0.334403D+01  0.321882D+01  0.441699D+01  0.838684D+00  0.131588D+02
      2  -0.156227D+01  0.441699D+01  0.649938D+01  0.144251D+01  0.309266D+01
      3  -0.150714D+01  0.838684D+00  0.144251D+01  0.137502D+01  0.200372D+00
                41            42            43            44            45 
      1   0.309266D+01  0.200372D+00  0.292077D+01  0.199625D+00  0.229358D+01
      2   0.551109D+01 -0.319231D+00  0.199625D+00 -0.108821D+01  0.234171D+01
      3  -0.319231D+00  0.100355D+01  0.229358D+01  0.234171D+01  0.429186D+00
                46            47            48            49            50 
      1   0.129347D+01 -0.374138D+01 -0.439319D+00  0.494859D+01 -0.494222D+00
      2  -0.374138D+01 -0.271850D+01  0.387728D+00 -0.494222D+00  0.955410D+00
      3  -0.439319D+00  0.387728D+00  0.297683D-01  0.178434D+00 -0.857477D+00
                51            52            53            54            55 
      1   0.178434D+00  0.390807D+00  0.108052D+01 -0.183946D+01 -0.419715D+01
      2  -0.857477D+00  0.108052D+01 -0.843404D+00  0.353511D+01  0.333610D+01
      3   0.143274D+01 -0.183946D+01  0.353511D+01  0.234785D+01 -0.532454D-01
                56            57            58            59            60 
      1   0.333610D+01 -0.532454D-01  0.494849D+01 -0.453626D+01  0.580065D+00
      2  -0.317630D+01  0.715700D+00 -0.453626D+01 -0.161153D+01  0.179295D+01
      3   0.715700D+00 -0.232765D+01  0.580065D+00  0.179295D+01  0.344497D+01
                61            62            63            64            65 
      1  -0.228752D+01  0.117171D+01 -0.465827D+01 -0.650180D+01 -0.209715D+01
      2   0.117171D+01  0.790298D+00  0.452640D+01 -0.209715D+01  0.172437D+01
      3  -0.465827D+01  0.452640D+01  0.190823D+01 -0.231155D+01  0.177718D+00
                66            67            68            69            70 
      1  -0.231155D+01 -0.180433D+01  0.152975D+01  0.335411D+00 -0.395696D+01
      2   0.177718D+00  0.152975D+01  0.293302D+01 -0.131077D+01 -0.896800D-01
      3   0.511872D+00  0.335411D+00 -0.131077D+01 -0.149398D+01 -0.454043D+00
                71            72            73            74            75 
      1  -0.896800D-01 -0.454043D+00 -0.263765D+01 -0.921596D+00 -0.439952D+00
      2  -0.148218D+00 -0.233783D+01 -0.921596D+00 -0.234394D+01 -0.188173D+01
      3  -0.233783D+01  0.592940D+01 -0.439952D+00 -0.188173D+01 -0.180822D+01
                76            77            78            79            80 
      1  -0.138955D+01 -0.408319D+01 -0.142410D+01 -0.218028D+01 -0.293926D+01
      2  -0.408319D+01 -0.851079D+01  0.164933D+01 -0.293926D+01  0.149628D+01
      3  -0.142410D+01  0.164933D+01 -0.123113D+01 -0.344809D+01 -0.334754D+01
                81            82            83            84            85 
      1  -0.344809D+01 -0.749113D+01 -0.461800D+01 -0.409020D+00 -0.452942D+01
      2  -0.334754D+01 -0.461800D+01 -0.347543D+01 -0.245570D+00 -0.447750D+01
      3  -0.461440D+01 -0.409020D+00 -0.245570D+00 -0.651868D+00 -0.659683D+00
                86            87            88            89            90 
      1  -0.447750D+01 -0.659683D+00 -0.312234D+00 -0.502004D+00 -0.112529D+00
      2  -0.508389D+01 -0.601172D+00 -0.502004D+00 -0.830369D+00 -0.160909D+00
      3  -0.601172D+00 -0.661030D+00 -0.112529D+00 -0.160909D+00 -0.110658D+00
                91            92            93            94            95 
      1  -0.129029D+02  0.246785D+01  0.158167D+01  0.253888D+01 -0.211322D+01
      2   0.246785D+01 -0.120618D+01 -0.293529D+00 -0.211322D+01  0.106893D+01
      3   0.158167D+01 -0.293529D+00 -0.103525D+01 -0.642493D+00  0.336830D+00
                96            97            98            99           100 
      1  -0.642493D+00  0.166146D+01 -0.628664D+00 -0.296950D+00  0.536660D+00
      2   0.336830D+00 -0.628664D+00  0.257982D+00  0.127625D+00 -0.139283D+01
      3   0.334328D+00 -0.296950D+00  0.127625D+00  0.240353D+00 -0.325721D+00
               101           102           103           104           105 
      1  -0.139283D+01 -0.325721D+00 -0.957915D+00  0.719771D+00  0.146585D+00
      2   0.131160D+01  0.430706D+00  0.719771D+00 -0.100275D+02 -0.221939D+01
      3   0.430706D+00  0.248592D+00  0.146585D+00 -0.221939D+01 -0.135183D+01
               106           107           108           109           110 
      1  -0.319818D+00  0.433051D+00  0.609586D-02 -0.143387D+01  0.195451D+01
      2   0.433051D+00 -0.237904D+01 -0.631959D+00  0.195451D+01 -0.195734D+01
      3   0.609586D-02 -0.631959D+00 -0.418802D+00  0.508709D+00 -0.519803D+00
               111           112           113           114           115 
      1   0.508709D+00  0.176876D+01 -0.296298D+01 -0.662898D+00  0.471131D+00
      2  -0.519803D+00 -0.296298D+01  0.988113D+01  0.203891D+01 -0.789725D+00
      3  -0.369166D+00 -0.662898D+00  0.203891D+01  0.129632D+01 -0.276537D+00
               116           117           118           119           120 
      1  -0.789725D+00 -0.276537D+00  0.224118D+01 -0.152545D+01 -0.149559D+01
      2   0.210416D+01  0.582992D+00 -0.152545D+01  0.111972D+01  0.448519D+00
      3   0.582992D+00  0.388818D+00 -0.149559D+01  0.448519D+00  0.146193D+01
               121           122           123           124           125 
      1  -0.343228D+01  0.243671D+01  0.103405D+01 -0.262976D+01  0.131627D+01
      2   0.243671D+01 -0.323716D+01 -0.227811D+01  0.131627D+01 -0.246398D+01
      3   0.103405D+01 -0.227811D+01 -0.299305D+01  0.276179D+01 -0.302427D+01
               126           127           128           129           130 
      1   0.276179D+01 -0.889375D+01  0.192368D+01  0.546650D+00 -0.154481D+01
      2  -0.302427D+01  0.192368D+01  0.279309D+01 -0.121603D+01  0.323194D+01
      3  -0.560151D+01  0.546650D+00 -0.121603D+01  0.211492D+01 -0.143635D+01
               131           132           133           134           135 
      1   0.323194D+01 -0.143635D+01  0.580795D+01 -0.262975D+01  0.317516D+01
      2   0.354554D+01 -0.150867D+01 -0.262975D+01 -0.466758D-01 -0.363533D+01
      3  -0.150867D+01 -0.316899D+01  0.317516D+01 -0.363533D+01 -0.178674D+01
               136           137           138           139           140 
      1   0.118078D+01  0.567921D+00 -0.994921D+00  0.537124D+00  0.396650D+00
      2   0.567921D+00 -0.137483D+00 -0.215187D+00  0.396650D+00  0.854437D+00
      3  -0.994921D+00 -0.215187D+00  0.211978D+00 -0.510867D+00 -0.128088D+01
               141           142           143           144           145 
      1  -0.510867D+00 -0.150553D+01 -0.610751D+00  0.225231D+01  0.109935D+02
      2  -0.128088D+01 -0.610751D+00 -0.189046D+01  0.250333D+01  0.213569D+01
      3   0.165435D+01  0.225231D+01  0.250333D+01 -0.880378D+01  0.958290D+00
               146           147           148           149           150 
      1   0.213569D+01  0.958290D+00  0.143531D+01  0.136540D+01  0.236398D-01
      2   0.140380D+01 -0.467788D-01  0.136540D+01  0.515283D+00  0.315576D+00
      3  -0.467788D-01  0.116329D+01  0.236398D-01  0.315576D+00  0.306344D+00
               151           152           153           154           155 
      1   0.325375D+01  0.567634D+00  0.155052D+01 -0.908072D-01  0.922520D+00
      2   0.567634D+00  0.674655D+00  0.539728D+00  0.922520D+00 -0.765789D+00
      3   0.155052D+01  0.539728D+00  0.444255D-01 -0.372709D+00  0.218374D+00
               156           157           158           159           160 
      1  -0.372709D+00  0.204962D+01  0.205364D+01 -0.220235D+00 -0.388147D+00
      2   0.218374D+00  0.205364D+01  0.110322D+02 -0.201151D+01 -0.136255D+00
      3   0.139698D+00 -0.220235D+00 -0.201151D+01  0.133431D+01  0.779278D+00
               161           162           163           164           165 
      1  -0.136255D+00  0.779278D+00  0.252578D+01  0.124886D+01  0.162469D+01
      2  -0.344407D+01  0.226627D+01  0.124886D+01  0.936962D+00  0.900947D+00
      3   0.226627D+01 -0.696472D+00  0.162469D+01  0.900947D+00  0.149922D+01
               166           167           168           169           170 
      1   0.911316D+00  0.181101D+01  0.755094D+00  0.431192D+01  0.280516D+01
      2   0.181101D+01  0.309893D+01  0.152196D+01  0.280516D+01  0.337478D+01
      3   0.755094D+00  0.152196D+01  0.125210D+01  0.303858D+01  0.360279D+01
               171           172           173           174           175 
      1   0.303858D+01  0.515269D+00  0.268633D+00  0.616519D+00  0.104795D+01
      2   0.360279D+01  0.268633D+00 -0.587704D+00  0.126039D+00 -0.428945D+00
      3   0.689214D+01  0.616519D+00  0.126039D+00 -0.976054D+00  0.483983D+00
               176           177           178           179           180 
      1  -0.428945D+00  0.483983D+00  0.903412D+00  0.352948D-01  0.405056D+00
      2   0.100711D+01  0.114681D+01  0.352948D-01  0.143894D+01  0.115804D+01
      3   0.114681D+01  0.272490D+01  0.405056D+00  0.115804D+01  0.608132D+01
               181           182           183           184           185 
      1   0.134761D+02 -0.328525D+01  0.100601D+01 -0.133529D+01  0.142108D+01
      2  -0.328525D+01  0.176041D+01 -0.415818D+00  0.142108D+01 -0.124664D+01
      3   0.100601D+01 -0.415818D+00  0.127470D+01  0.100840D+00  0.216526D+00
               186           187           188           189           190 
      1   0.100840D+00 -0.152190D+01  0.548766D+00  0.959002D+00 -0.205444D+00
      2   0.216526D+00  0.548766D+00 -0.435515D+00  0.639124D-01 -0.103701D+01
      3   0.187278D+00  0.959002D+00  0.639124D-01  0.350966D-01  0.458202D-01
               191           192           193           194           195 
      1  -0.103701D+01  0.458202D-01 -0.142580D+01 -0.328480D+00  0.176722D-01
      2  -0.218989D+01  0.816585D+00 -0.328480D+00 -0.777133D+01  0.201719D+01
      3   0.816585D+00 -0.100317D+01  0.176722D-01  0.201719D+01 -0.130678D+01
               196           197           198 
      1  -0.384807D+00  0.283852D+00 -0.303473D+00
      2   0.283852D+00  0.113955D+01 -0.101150D+01
      3  -0.303473D+00 -0.101150D+01  0.104007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201276D+01  0.561505D+00 -0.280405D+01  0.272783D+01 -0.590961D+00
      2   0.239300D+01  0.175020D+01  0.393818D+01 -0.268545D+01 -0.242187D+01
      3  -0.699759D+01 -0.103016D+02 -0.124768D+01  0.875117D+01 -0.312442D+01
                 6             7             8             9            10 
      1  -0.809709D+00 -0.794461D+01  0.528870D+01  0.206244D+01  0.600111D+00
      2   0.426909D+01 -0.708091D+00  0.108800D+02  0.306290D+01 -0.978680D+00
      3   0.102752D+01  0.264252D+01  0.345340D+01 -0.476646D+01  0.528634D+01
                11            12            13            14            15 
      1   0.591008D+00  0.130396D+01 -0.232958D+00 -0.264651D+01  0.887091D+00
      2   0.192339D+00  0.572223D+01 -0.378622D+01  0.571306D+00 -0.146945D+01
      3  -0.849203D+01 -0.562387D+00  0.116313D+02  0.382010D+01 -0.145705D+01
                16            17            18            19            20 
      1   0.435440D+01  0.112191D+02  0.216428D+01  0.756826D+00 -0.975056D+00
      2   0.743735D+01 -0.521047D+01 -0.376887D+01 -0.478535D+01  0.312630D+01
      3   0.381119D+01 -0.148980D+01  0.217753D+01  0.941049D+01 -0.714889D+01
                21            22            23            24            25 
      1   0.180091D+01 -0.745104D+00  0.100125D+01 -0.285775D+01  0.369660D+01
      2  -0.495348D+00  0.181255D+01  0.603873D+00  0.191959D+01 -0.139911D+02
      3  -0.344444D+01  0.591505D+01 -0.730836D+01  0.187649D+00 -0.358429D+01
                26            27            28            29            30 
      1   0.948044D-01 -0.996429D+00  0.400852D+00  0.131459D+00  0.167346D+01
      2   0.327249D+01  0.363759D+01  0.257152D+01 -0.382342D+01 -0.184087D+01
      3   0.130011D+01 -0.580349D+01 -0.572189D+01  0.134475D+02  0.191788D+01
                31            32            33            34            35 
      1   0.310442D+00 -0.329538D+01 -0.101802D+01  0.410927D+01  0.987679D+01
      2  -0.204361D+01  0.101776D+01  0.234553D+00 -0.143383D+02 -0.381347D+00
      3   0.120401D+02 -0.110980D+02  0.121303D+01 -0.549408D+00 -0.174549D+01
                36            37            38            39            40 
      1   0.410464D+00 -0.217702D+01 -0.471452D+00 -0.100175D+01  0.646517D+00
      2   0.638666D+00 -0.801026D-01  0.185163D+00 -0.123121D+01  0.389192D+01
      3  -0.257332D+01 -0.254460D+01  0.951746D+01  0.265669D+01  0.122578D+02
                41            42            43            44            45 
      1  -0.797407D+00 -0.732410D+00 -0.468765D+01  0.793476D+01  0.185274D+01
      2  -0.310239D+01 -0.131275D+01 -0.138623D+02 -0.877454D+00  0.594531D+00
      3   0.201438D+02  0.156407D+01 -0.845744D+00  0.325668D+01  0.487120D+01
                46            47            48            49            50 
      1   0.957885D+00 -0.107227D+01 -0.636087D+00 -0.558540D+00 -0.872931D-01
      2   0.579778D+00  0.180262D+01  0.226155D+00  0.244279D+01  0.218167D+01
      3  -0.482445D+01 -0.154024D+02 -0.214185D+01  0.271015D+00  0.316183D+01
                51            52            53            54            55 
      1  -0.246931D+01  0.290695D+01  0.461265D+00 -0.834636D+00 -0.190335D+01
      2  -0.376330D+01 -0.110923D+02 -0.891380D+01 -0.371677D+01 -0.707435D+00
      3  -0.152544D+01 -0.228383D+01 -0.226988D+01  0.548216D+01 -0.159768D+00
                56            57            58            59            60 
      1   0.573307D+00 -0.281039D+01  0.996640D-01  0.459605D+01  0.254013D+00
      2   0.317551D+01 -0.812721D+00  0.401169D+01  0.390363D+00  0.648383D+01
      3  -0.449360D+01  0.801493D+00  0.100513D+02  0.125276D+02 -0.515014D+01
                61            62            63            64            65 
      1  -0.653797D+01  0.733693D+01  0.607707D+00  0.431928D+01 -0.207483D+01
      2  -0.155354D+02  0.979283D+01  0.153717D+01 -0.126818D+02 -0.913676D+00
      3   0.243124D+01 -0.580426D+01 -0.459594D+01  0.945854D-02 -0.108849D+02
                66            67            68            69            70 
      1  -0.564957D+00 -0.722845D+00 -0.239285D+01  0.111065D+01  0.114958D+01
      2   0.132712D+01  0.359498D+00 -0.494625D+00 -0.403504D+01 -0.931754D+01
      3  -0.360124D+01 -0.673553D+01 -0.737997D+01  0.497756D+01 -0.658801D+01
                71            72            73            74            75 
      1   0.559506D+01 -0.460983D+01  0.181828D+01  0.510737D+01  0.379179D+01
      2  -0.728182D+01  0.130836D+02  0.163333D+00 -0.148894D+01 -0.823686D-02
      3   0.358913D+01  0.534080D+01 -0.501381D+01 -0.431598D+01  0.897297D+00
                76            77            78            79            80 
      1   0.188187D+01 -0.874463D+01  0.888442D+00  0.109240D+02  0.136144D+02
      2  -0.172389D+01  0.300389D+01 -0.185580D-01 -0.837990D+01 -0.282602D+01
      3   0.113660D+02 -0.951973D+00 -0.771329D+01 -0.803017D+00 -0.138316D+02
                81            82            83            84            85 
      1   0.100612D+02  0.249096D+00  0.484272D+00 -0.234082D+01 -0.401257D+00
      2  -0.357452D+01 -0.458096D+00 -0.427010D+00  0.364092D+01  0.886817D+00
      3  -0.566833D+01 -0.190250D+01 -0.539798D+01  0.570638D-01 -0.426004D+01
                86            87            88            89            90 
      1  -0.253011D-01 -0.254786D+01  0.112907D+01  0.115853D+01 -0.200263D+00
      2   0.909707D+00  0.317009D+01 -0.119099D+01 -0.831515D+00  0.169222D+00
      3  -0.909073D+01 -0.755792D+00 -0.987427D+00 -0.151711D+01 -0.243270D-01
                91            92            93            94            95 
      1  -0.192150D+00 -0.575949D+00  0.117422D+01 -0.521557D-01  0.199700D+00
      2  -0.188181D+01  0.316540D+00  0.599939D+01  0.156714D+01 -0.751282D+00
      3   0.204040D+01 -0.537219D+01 -0.220026D+00 -0.423171D+01  0.293591D+01
                96            97            98            99           100 
      1  -0.635754D+00 -0.810188D+00  0.461717D+00 -0.133537D+00  0.299681D+00
      2  -0.173462D+01 -0.178986D+01  0.415393D+00 -0.675452D+00  0.722904D+00
      3   0.721182D+00 -0.183522D+01  0.144537D+01  0.200798D+00 -0.388141D+01
               101           102           103           104           105 
      1   0.617589D-01  0.988347D+00 -0.268554D+00  0.847173D+00 -0.458911D+01
      2  -0.997163D+00 -0.105558D+00 -0.130586D+01  0.246936D+01  0.783864D+00
      3   0.418992D+01  0.105727D+01  0.609646D+01 -0.128331D+02 -0.295891D+01
               106           107           108           109           110 
      1  -0.339098D+00  0.208717D+01 -0.749020D+00 -0.222435D+00  0.157869D+00
      2  -0.113229D+01  0.670428D+00  0.334941D-01 -0.406054D+00  0.415118D+00
      3   0.146725D+01 -0.341617D+01 -0.440129D+00  0.880578D+00 -0.914383D+00
               111           112           113           114           115 
      1   0.110811D+01  0.131695D+00  0.672144D+00 -0.452500D+01 -0.352023D+00
      2   0.976582D+00  0.143777D+00 -0.323938D+01 -0.283913D+01 -0.621699D+00
      3  -0.266395D+00  0.445600D+00  0.148770D+02  0.297436D+01 -0.158143D+00
               116           117           118           119           120 
      1   0.183970D+01 -0.755421D+00 -0.848473D+00 -0.522483D+00  0.147715D+01
      2  -0.101054D+00 -0.460111D+00 -0.105724D+01  0.326809D+00  0.277880D+01
      3   0.330488D+01  0.322357D+00  0.131771D+01 -0.311435D+01  0.220710D+00
               121           122           123           124           125 
      1   0.340052D+00  0.492488D+00 -0.281452D+01  0.230874D+01  0.783149D+00
      2  -0.993574D-01 -0.264324D+01 -0.534792D+01  0.167483D+01 -0.421340D+01
      3   0.787951D+00  0.340881D+01  0.386319D+01  0.100359D+01  0.483863D+01
               126           127           128           129           130 
      1  -0.389095D+01  0.298691D+01  0.210961D+01  0.281464D+01 -0.171417D+01
      2  -0.842328D+01  0.117283D+02 -0.668448D+01  0.802394D+01 -0.670263D+01
      3   0.394639D+01  0.986024D+01 -0.139805D+02  0.175623D+01 -0.568628D+01
               131           132           133           134           135 
      1   0.397563D+01 -0.113918D+02  0.278719D+01 -0.610766D+01 -0.662931D+01
      2  -0.576567D+01 -0.744899D+01  0.563026D+01 -0.801848D+01 -0.614674D+01
      3  -0.179417D+02  0.735847D+01 -0.283900D+00  0.740319D+01  0.484507D+01
               136           137           138           139           140 
      1   0.944771D-01  0.705025D+00 -0.324458D-01  0.791740D+00  0.458322D-01
      2  -0.490430D+00 -0.135307D+00  0.881273D+00 -0.420763D+00 -0.263991D+01
      3  -0.703019D+00  0.711528D+00 -0.241023D+00  0.290753D+01 -0.114267D+01
               141           142           143           144           145 
      1  -0.121480D+01 -0.137595D+01  0.204854D+01  0.668137D+01 -0.240994D+01
      2   0.340469D+01  0.944266D+00  0.467237D+01 -0.183955D+02  0.920069D+01
      3   0.253163D+01 -0.897175D+00  0.498236D+01 -0.270466D+01  0.674616D+01
               146           147           148           149           150 
      1  -0.815245D+00 -0.158837D+01 -0.830144D+00 -0.471094D+00 -0.131299D+01
      2   0.123598D+01  0.625100D+01  0.101894D+01  0.163993D+01  0.106734D+01
      3  -0.533244D+01  0.119298D+01 -0.833907D+00  0.261074D+00 -0.131682D+01
               151           152           153           154           155 
      1  -0.179629D+01 -0.954622D-01 -0.808283D+00  0.449858D+00 -0.947878D+00
      2   0.451661D+01  0.154674D+01  0.175353D+01  0.237866D+00  0.645055D+00
      3   0.243232D+01 -0.276031D+01  0.237231D+00 -0.144685D+01  0.271919D+00
               156           157           158           159           160 
      1  -0.140950D-01  0.204577D+01  0.655245D+01 -0.584588D+01 -0.212775D+01
      2   0.106936D+01 -0.616650D+00 -0.246670D+01  0.135005D+01  0.295063D+00
      3  -0.140837D+01  0.460917D+01 -0.885110D+01  0.237163D+01 -0.204314D+01
               161           162           163           164           165 
      1  -0.456130D+01  0.237409D+01 -0.337622D+01 -0.125304D+01 -0.354584D+01
      2   0.158651D+01 -0.847351D+00 -0.497238D+00  0.676603D+00  0.240151D+01
      3   0.497301D+01 -0.933458D+00  0.634361D+01  0.376698D+00  0.239273D+01
               166           167           168           169           170 
      1  -0.139541D+01 -0.172670D+01 -0.322257D+01 -0.716300D+01 -0.558904D+01
      2   0.649030D+00  0.107476D+01  0.150850D+01  0.130474D+01  0.309557D+01
      3  -0.370151D+00 -0.995878D-01  0.115405D+00  0.705657D+01  0.230399D+01
               171           172           173           174           175 
      1  -0.157507D+02  0.135102D+01 -0.146159D+01 -0.136275D+01 -0.626204D+00
      2   0.661432D+01  0.168312D+01 -0.263099D+00 -0.218219D+01 -0.923148D+00
      3   0.253923D+01 -0.102307D+01  0.837481D+00 -0.715154D+00  0.114436D+01
               176           177           178           179           180 
      1   0.506267D+01  0.470127D+01 -0.151561D+00  0.659735D+01  0.105567D+02
      2   0.359179D+01  0.644643D+01 -0.295498D+01  0.368933D+01  0.141791D+02
      3  -0.266487D+01 -0.356274D+01 -0.628899D+00 -0.420882D+01 -0.372336D+01
               181           182           183           184           185 
      1   0.198694D+00  0.101998D+01  0.241709D+01  0.935684D+00 -0.571076D+00
      2  -0.786933D+01  0.907434D+00  0.593137D+01  0.136749D+01 -0.852530D-01
      3  -0.139520D+02 -0.305640D+01 -0.216531D+00 -0.130684D-01  0.170904D+01
               186           187           188           189           190 
      1  -0.223569D+00  0.122291D+01  0.100672D+01  0.168437D+00 -0.134062D+01
      2   0.165883D+00  0.145320D+01  0.385827D+00 -0.585739D+00  0.144612D+01
      3  -0.514746D+00  0.585662D+00 -0.224234D+00 -0.192675D+01  0.543156D+01
               191           192           193           194           195 
      1  -0.133336D+01 -0.184814D+01 -0.119709D+01 -0.480157D+01 -0.267544D+01
      2   0.268280D+01 -0.144669D+01  0.215594D+01  0.615591D+01 -0.283417D+01
      3   0.694185D+01 -0.158747D+01  0.707673D+01  0.204872D+02 -0.511887D+01
               196           197           198 
      1  -0.458210D+00  0.862027D+00  0.112114D+01
      2  -0.156232D+01 -0.219807D+01  0.245833D+01
      3   0.578540D-01 -0.358305D+01  0.319745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.310169D+01 -0.210209D+02 -0.327560D+01  0.268283D+02  0.691927D-01
      2  -0.197109D+01  0.147921D+02 -0.330287D+00 -0.257632D+02 -0.404691D+01
      3   0.507278D+01  0.622876D+01  0.360588D+01 -0.106508D+01  0.397771D+01
      4  -0.209046D+02  0.935822D+01  0.484648D+01  0.541433D+00 -0.163203D+02
      5   0.969190D+00  0.300653D+01  0.881087D+01 -0.693186D+01 -0.770152D+01
      6   0.219296D+01  0.313947D+01  0.669833D+01 -0.754143D+01 -0.413677D+01
                 6             7             8             9            10 
      1  -0.153957D+01  0.109207D+02  0.352585D+01  0.681798D+01 -0.125364D+02
      2   0.238491D+01 -0.121135D+02 -0.558644D+01 -0.106913D+02  0.826548D+01
      3  -0.845343D+00  0.119277D+01  0.206059D+01  0.387333D+01  0.427094D+01
      4  -0.970451D+01 -0.148087D+01 -0.103073D+02  0.134447D+02  0.835073D+01
      5   0.883615D+01  0.257437D+02  0.158997D+02  0.617864D+01  0.696578D+01
      6   0.265374D+01  0.881820D+01  0.107037D+02 -0.302357D+01  0.740571D+00
                11            12            13            14            15 
      1   0.672963D+01  0.726859D+01 -0.197785D+02 -0.192460D+02 -0.650926D+01
      2  -0.413786D+01 -0.338656D+01  0.166991D+02  0.175369D+02  0.747314D+01
      3  -0.259177D+01 -0.388202D+01  0.307935D+01  0.170911D+01 -0.963875D+00
      4   0.221835D+02  0.320785D+00 -0.190901D+02  0.125132D+02  0.761077D+01
      5   0.159307D+00  0.125929D+02 -0.113464D+02  0.514371D+01 -0.287188D+01
      6  -0.551150D+00 -0.303863D+01  0.641908D+01  0.343312D+01 -0.153871D+01
                16            17            18            19            20 
      1   0.471726D+01 -0.955448D+01  0.135268D+02  0.978792D+01  0.337581D+01
      2   0.182717D+01  0.712908D+01 -0.177783D+02 -0.802656D+01 -0.581819D+01
      3  -0.654443D+01  0.242540D+01  0.425149D+01 -0.176136D+01  0.244238D+01
      4  -0.135331D+02  0.371563D+01 -0.369560D+01  0.100530D+02 -0.218424D+02
      5   0.337264D+02 -0.591151D+01 -0.776189D+01 -0.115508D+01 -0.170227D+01
      6  -0.203263D+01  0.500996D+01 -0.299372D+01 -0.883639D+00  0.122004D+01
                21            22            23            24            25 
      1  -0.158818D+01  0.601902D+01  0.118365D+02  0.590827D+01 -0.185380D+01
      2   0.129151D+01  0.847891D+00 -0.170124D+02 -0.851552D+01  0.230383D+01
      3   0.296670D+00 -0.686691D+01  0.517595D+01  0.260725D+01 -0.450022D+00
      4  -0.389004D+01  0.178487D+02  0.979362D+01  0.164413D+00  0.105749D+01
      5  -0.370418D+01  0.456661D+00  0.712146D+00  0.217136D+01  0.156935D+01
      6  -0.345913D+01  0.324022D+01 -0.130325D+02  0.355252D+01  0.221155D-01
                26            27            28            29            30 
      1   0.469374D+01 -0.145389D+02 -0.216162D+02  0.903369D+01  0.237583D+01
      2  -0.116207D+02  0.197928D+01  0.127853D+02 -0.525276D+01 -0.462326D+00
      3   0.692691D+01  0.125596D+02  0.883088D+01 -0.378093D+01 -0.191351D+01
      4   0.285860D+01  0.929550D+01 -0.132386D+02  0.112593D+02  0.269903D+00
      5   0.812507D+01  0.745576D+01  0.442846D+01 -0.174218D+01 -0.848485D+00
      6   0.148753D+02  0.614726D+01 -0.355900D+01 -0.784105D-01 -0.242737D+01
                31            32            33            34            35 
      1  -0.208262D+01 -0.218517D+01  0.543744D-01  0.801919D+01 -0.104617D+01
      2   0.736509D+01  0.769502D+01  0.189796D+01 -0.995927D+00 -0.945202D-01
      3  -0.528247D+01 -0.550985D+01 -0.195233D+01 -0.702326D+01  0.114069D+01
      4  -0.469669D+01  0.783796D+01  0.112068D+01 -0.456436D+01  0.120305D+01
      5  -0.284107D+01 -0.444072D+00 -0.937166D+00  0.402522D+01 -0.938250D+00
      6   0.534797D+01  0.243555D+01  0.191751D+01 -0.188000D+01  0.592474D+01
                36            37            38            39            40 
      1  -0.953052D+01 -0.166035D+02 -0.250738D+02 -0.481570D+01 -0.714950D+01
      2  -0.366392D+01  0.124486D+02  0.187678D+02  0.311071D+01 -0.246223D+01
      3   0.131944D+02  0.415485D+01  0.630606D+01  0.170499D+01  0.961173D+01
      4  -0.357709D+01 -0.353576D+01 -0.351627D+01  0.208013D+01  0.348438D+01
      5   0.943010D+00 -0.558844D+00  0.237517D+01 -0.339463D+00  0.475298D+01
      6  -0.107673D+01  0.649145D+01  0.427364D+01  0.206662D+01 -0.637689D+01
                41            42            43            44            45 
      1  -0.974658D+01  0.255635D+01 -0.191518D+00  0.584541D+01 -0.101060D+02
      2   0.100380D+02  0.401902D+00 -0.148843D+01 -0.393341D+01  0.544619D+00
      3  -0.291462D+00 -0.295825D+01  0.167995D+01 -0.191199D+01  0.956141D+01
      4  -0.575053D+01 -0.229619D+01  0.161091D+01 -0.671968D+00 -0.102320D+01
      5  -0.181870D+01 -0.125222D+01  0.444111D+01 -0.251400D+01  0.941394D+00
      6   0.175514D+00  0.267486D+01  0.109142D+01  0.799155D+01 -0.200077D+01
                46            47            48            49            50 
      1   0.157796D+02  0.163611D+02 -0.675845D+00 -0.188619D+02  0.148354D+02
      2  -0.143194D+02 -0.113699D+02 -0.542266D+00  0.154874D+02 -0.206057D+02
      3  -0.146019D+01 -0.499118D+01  0.121811D+01  0.337445D+01  0.577027D+01
      4   0.433040D+01 -0.158441D+02 -0.599216D+01  0.112331D+02 -0.212979D+00
      5   0.346231D+01 -0.523759D+01 -0.273108D+01  0.141870D+01  0.436819D+01
      6  -0.710420D+01  0.200334D+01  0.165557D+00  0.354073D+01 -0.113059D+02
                51            52            53            54            55 
      1   0.448329D+01 -0.590710D+01 -0.823774D+00 -0.733260D+01  0.204167D+02
      2  -0.706365D+01  0.789909D+01 -0.815678D+01 -0.305786D+01 -0.980633D+01
      3   0.258035D+01 -0.199199D+01  0.898056D+01  0.103905D+02 -0.106104D+02
      4   0.463916D+01 -0.245563D+01  0.106829D+02 -0.144702D+02  0.121037D+02
      5  -0.677812D+01  0.814554D+01 -0.136803D+02 -0.760939D+01 -0.139318D+01
      6   0.346838D+01 -0.526685D+01  0.135146D+02  0.354222D+01  0.313058D+01
                56            57            58            59            60 
      1  -0.539292D+01  0.309877D+01 -0.457350D+01 -0.537787D+01  0.434313D+01
      2   0.284323D+01 -0.171939D+01 -0.382944D+00  0.482848D+01 -0.392931D+01
      3   0.254969D+01 -0.137937D+01  0.495645D+01  0.549386D+00 -0.413820D+00
      4  -0.124929D+02  0.265805D+01 -0.243610D+02 -0.544318D+01  0.625790D+01
      5   0.326197D+01 -0.102360D+02  0.490120D+01  0.766032D+01  0.152807D+02
      6  -0.138141D+01  0.783554D+01  0.284135D+01 -0.455981D+01 -0.130135D+02
                61            62            63            64            65 
      1  -0.539436D+01  0.626372D+01  0.219479D+01 -0.346726D+02 -0.123338D+02
      2  -0.462813D+00  0.300392D+00 -0.140884D+01  0.110321D+02  0.905530D+01
      3   0.585718D+01 -0.656412D+01 -0.785945D+00  0.236405D+02  0.327852D+01
      4   0.105971D+02 -0.197711D+00  0.233209D+02 -0.162827D+02  0.572671D+00
      5  -0.239634D+02  0.210068D+02  0.664995D+01 -0.111845D+02 -0.984733D-01
      6   0.187200D+02 -0.159432D+02 -0.959518D+01 -0.391878D+01  0.285530D+00
                66            67            68            69            70 
      1  -0.115143D+02 -0.102288D+02  0.642479D+01 -0.149311D-02 -0.211459D+02
      2   0.708089D+01  0.920093D+01  0.913982D+00 -0.618337D+01  0.890186D+01
      3   0.443343D+01  0.102786D+01 -0.733877D+01  0.618487D+01  0.122440D+02
      4  -0.320022D+01  0.431184D+01  0.135666D+02 -0.382448D+01 -0.682858D+01
      5   0.257381D+01  0.217426D+01 -0.631516D+01 -0.657296D+01 -0.166364D+01
      6   0.574840D-01 -0.202492D+01 -0.215608D+01 -0.333861D+01 -0.334259D+01
                71            72            73            74            75 
      1  -0.217501D+01  0.622090D+01  0.431641D+01  0.114066D+02  0.842323D+01
      2  -0.874105D+01  0.122659D+02  0.328462D+01 -0.460947D+01 -0.690007D+01
      3   0.109161D+02 -0.184868D+02 -0.760102D+01 -0.679711D+01 -0.152316D+01
      4   0.164959D+01 -0.115258D+02  0.248133D+01  0.712817D+00 -0.289571D+01
      5  -0.103972D+02  0.248267D+02  0.120091D-01 -0.473495D+01 -0.690471D+01
      6  -0.121796D+01  0.173644D+02 -0.410939D+01 -0.840471D+01 -0.721880D+01
                76            77            78            79            80 
      1   0.207954D+02  0.278881D+02 -0.778008D+01  0.141139D+02 -0.650305D+01
      2  -0.183106D+02 -0.407326D+02  0.138203D+02 -0.634153D+01  0.195598D+02
      3  -0.248480D+01  0.128445D+02 -0.604022D+01 -0.777241D+01 -0.130568D+02
      4  -0.339533D+01 -0.110044D+02  0.152182D+01 -0.699268D+01 -0.216009D+01
      5  -0.698309D+01  0.236075D+01 -0.237019D+01 -0.117714D+02 -0.956497D+01
      6  -0.310269D+01  0.127652D+02 -0.622934D+01 -0.165808D+02 -0.184017D+02
                81            82            83            84            85 
      1   0.123532D+02  0.396353D+02  0.210715D+02  0.235036D+01  0.161551D+02
      2  -0.728239D+01 -0.132206D+02 -0.371032D+01 -0.107131D+01  0.205067D+01
      3  -0.507081D+01 -0.264147D+02 -0.173612D+02 -0.127905D+01 -0.182058D+02
      4  -0.108531D+02  0.433460D+02  0.326504D+02  0.243599D+01  0.372959D+02
      5  -0.152858D+02  0.514922D+01  0.271577D+01  0.688155D+01  0.542355D+01
      6  -0.197389D+02  0.645825D+00  0.525746D+00  0.316653D+01  0.241973D+01
                86            87            88            89            90 
      1   0.108733D+02  0.161086D+01  0.221433D+00  0.446811D+00  0.665206D+00
      2   0.779794D+01 -0.480985D+00  0.110343D+01  0.104483D+01  0.231469D+00
      3  -0.186712D+02 -0.112988D+01 -0.132486D+01 -0.149164D+01 -0.896675D+00
      4   0.389070D+02  0.427154D+01  0.413179D+01  0.447110D+01  0.308094D+01
      5   0.499610D+01  0.509301D+01  0.278248D+01  0.197683D+01  0.870009D+00
      6   0.229853D+01  0.441669D+01  0.177633D+01  0.215477D+01  0.116491D+01
                91            92            93            94            95 
      1   0.933033D+02 -0.167359D+02 -0.983981D+01 -0.151234D+02  0.114239D+02
      2  -0.527311D+02  0.845913D+01  0.672490D+01  0.661659D+01 -0.490652D+01
      3  -0.405723D+02  0.827674D+01  0.311492D+01  0.850684D+01 -0.651739D+01
      4  -0.266290D+02  0.129929D+02  0.283314D+01  0.200514D+02 -0.951348D+01
      5  -0.150592D+02  0.268601D+01  0.110834D+02  0.524657D+01 -0.293022D+01
      6   0.207868D-01 -0.631338D+00 -0.132358D+01 -0.169413D+01  0.615735D+00
                96            97            98            99           100 
      1   0.285172D+01 -0.114855D+02  0.355097D+01  0.397274D+01 -0.423231D+01
      2  -0.201268D+01  0.662512D+01 -0.201717D+01 -0.269030D+01  0.577784D+01
      3  -0.839032D+00  0.486036D+01 -0.153380D+01 -0.128244D+01 -0.154553D+01
      4  -0.277703D+01  0.596177D+01 -0.293327D+01 -0.220232D+01 -0.132422D+00
      5  -0.283039D+01  0.537547D+01 -0.127823D+01 -0.272387D+01  0.128286D+00
      6   0.205898D+01 -0.905130D+00  0.113471D+01  0.721888D+00  0.215291D+01
               101           102           103           104           105 
      1   0.717337D+01  0.241955D+01  0.400641D+01 -0.396177D+02 -0.928739D+01
      2  -0.731518D+01 -0.175525D+01 -0.403092D+01  0.539131D+02  0.947898D+01
      3   0.141807D+00 -0.664299D+00  0.245079D-01 -0.142954D+02 -0.191596D+00
      4   0.750775D+01  0.127096D+01  0.552031D+01  0.114476D+02  0.295514D+01
      5   0.103149D+01  0.142698D+01  0.990505D+00  0.376351D+01  0.200287D+01
      6  -0.302028D+01 -0.157432D+01 -0.889767D+00  0.164413D+02  0.102200D+02
               106           107           108           109           110 
      1   0.110644D+01 -0.924886D+01 -0.402494D+01  0.176889D+01 -0.280997D+01
      2  -0.112373D+01  0.110341D+02  0.404546D+01  0.357478D+01 -0.340840D+01
      3   0.172857D-01 -0.178522D+01 -0.205183D-01 -0.534367D+01  0.621837D+01
      4   0.123265D+01  0.200804D+01 -0.585727D+00 -0.127975D+02  0.170634D+02
      5   0.839632D+00  0.418375D+00 -0.118249D+00 -0.293874D+01  0.369676D+01
      6  -0.342375D+00  0.642617D+01  0.400628D+01  0.261614D+01 -0.287610D+01
               111           112           113           114           115 
      1  -0.462769D+00  0.251927D+01 -0.240222D+02 -0.509396D+01  0.134277D+00
      2  -0.236306D+00 -0.984299D+01  0.430737D+02  0.629819D+01 -0.166425D+01
      3   0.699076D+00  0.732372D+01 -0.190515D+02 -0.120423D+01  0.152997D+01
      4   0.391231D+01  0.189277D+02 -0.425058D+02 -0.867472D+01  0.478307D+01
      5   0.345888D+01  0.378491D+01 -0.779619D+01 -0.535148D+01  0.162933D+01
      6  -0.213346D+01 -0.429416D+01  0.135295D+02  0.936787D+01 -0.178856D+01
               116           117           118           119           120 
      1  -0.427350D+01 -0.318250D+01  0.437093D+01 -0.190541D+01 -0.325339D+01
      2   0.720334D+01  0.358083D+01 -0.366125D+01  0.108885D+01  0.271213D+01
      3  -0.292984D+01 -0.398331D+00 -0.709678D+00  0.816566D+00  0.541264D+00
      4  -0.982031D+01 -0.284258D+01 -0.875392D+01  0.961299D+01  0.464954D+01
      5  -0.254802D+01 -0.168436D+01 -0.864770D+01  0.409411D+01  0.112556D+02
      6   0.592125D+01  0.378266D+01  0.568494D+01 -0.277792D+01 -0.439908D+01
               121           122           123           124           125 
      1   0.890311D+00 -0.592162D+01 -0.569618D+01 -0.642731D+00 -0.567289D+01
      2  -0.959091D+00  0.581565D+01  0.295949D+01  0.391563D+01  0.341062D+00
      3   0.687791D-01  0.105973D+00  0.273670D+01 -0.327290D+01  0.533183D+01
      4   0.143809D+02 -0.144888D+02 -0.970168D+01  0.824165D+01 -0.103691D+02
      5   0.623405D+01 -0.975135D+01 -0.126342D+02  0.165714D+02 -0.127283D+02
      6  -0.602794D+01  0.128017D+02  0.148096D+02 -0.992410D+01  0.145502D+02
               126           127           128           129           130 
      1  -0.978537D+01 -0.557519D+02  0.226197D+02 -0.497216D+01  0.130410D+02
      2  -0.577971D+01  0.220039D+02 -0.194737D+02  0.786648D+00 -0.103502D+02
      3   0.155651D+02  0.337481D+02 -0.314607D+01  0.418551D+01 -0.269072D+01
      4  -0.131719D+02  0.293530D+02  0.593990D+01 -0.447129D+01  0.124966D+02
      5  -0.232744D+02 -0.684279D+01 -0.144505D+01  0.102315D+02 -0.528253D+01
      6   0.199596D+02 -0.157894D+01  0.764041D+01 -0.540227D+01  0.680819D+01
               131           132           133           134           135 
      1   0.233130D+02 -0.127859D+01  0.354977D+01 -0.258622D+01  0.764909D+01
      2  -0.251365D+02  0.157986D+02 -0.343065D+01  0.121955D+02  0.786751D+01
      3   0.182346D+01 -0.145200D+02 -0.119126D+00 -0.960925D+01 -0.155166D+02
      4   0.540376D+01 -0.462346D+01 -0.159302D+02  0.159704D+01 -0.219992D+02
      5  -0.661037D+00 -0.146895D+02  0.188351D+02 -0.185511D+02 -0.354165D+01
      6   0.923763D+01  0.495323D+01 -0.129098D+02  0.783534D+01 -0.416732D+01
               136           137           138           139           140 
      1   0.460868D+01  0.349096D+01 -0.424597D+01  0.144798D+01 -0.510923D+01
      2  -0.470055D+01 -0.229924D+01  0.256163D+01 -0.125491D+01  0.113499D+01
      3   0.918686D-01 -0.119172D+01  0.168434D+01 -0.193074D+00  0.397424D+01
      4   0.409660D+01  0.156271D+01 -0.306313D+01  0.434287D+01  0.375763D+01
      5  -0.532889D+01 -0.254125D+01  0.667273D+01 -0.334443D+01 -0.539652D+01
      6  -0.280784D+01 -0.442054D+00 -0.789129D-02 -0.232510D+01 -0.636584D+01
               141           142           143           144           145 
      1   0.354159D+01 -0.334424D+01  0.448170D+01 -0.137166D+02  0.665865D+02
      2  -0.234442D+00  0.807371D+01  0.220978D+01 -0.200125D+02 -0.321255D+02
      3  -0.330714D+01 -0.472947D+01 -0.669148D+01  0.337291D+02 -0.344610D+02
      4  -0.633423D+01 -0.609459D+01 -0.935977D+01  0.122945D+02  0.264450D+02
      5   0.678778D+01  0.155649D+02  0.111063D+02 -0.380220D+02  0.220935D+01
      6   0.109016D+02  0.633663D+01  0.103725D+02 -0.224150D+02  0.870131D+00
               146           147           148           149           150 
      1   0.101652D+02  0.623639D+01  0.568583D+01  0.605986D+01  0.163152D+00
      2  -0.313765D+01 -0.217606D+01 -0.196177D+00 -0.608114D+00  0.129489D+01
      3  -0.702758D+01 -0.406033D+01 -0.548966D+01 -0.545174D+01 -0.145804D+01
      4   0.143793D+02  0.141192D+01  0.129751D+02  0.551877D+01  0.200942D+01
      5  -0.500274D+00  0.887268D+01 -0.141077D+00  0.166045D+01  0.157408D+01
      6  -0.222300D+00  0.251630D+01 -0.234503D+00  0.902607D+00  0.204300D+01
               151           152           153           154           155 
      1   0.153350D+02  0.219982D+01  0.617004D+01 -0.632975D+00  0.497395D+01
      2  -0.726967D+01  0.103742D+01 -0.525831D+01  0.355470D+01 -0.558053D+01
      3  -0.806536D+01 -0.323724D+01 -0.911729D+00 -0.292172D+01  0.606588D+00
      4   0.679401D+01  0.464356D+01  0.448258D+01  0.143588D+01  0.812518D+01
      5   0.108252D+02  0.306913D+01  0.218883D+01 -0.630493D+00 -0.669979D+00
      6   0.292904D+01  0.198128D+01 -0.322977D+00 -0.269472D+01  0.138341D+01
               156           157           158           159           160 
      1  -0.226346D+01 -0.491727D+01 -0.411685D+02  0.783085D+01 -0.102568D+01
      2   0.165905D+01  0.862649D+01  0.662139D+02 -0.120432D+02 -0.162528D+01
      3   0.604412D+00 -0.370921D+01 -0.250455D+02  0.421233D+01  0.265096D+01
      4  -0.176484D+01  0.999779D+01  0.184402D+02 -0.306910D+01 -0.334232D+01
      5   0.274580D+01 -0.147359D+01 -0.281237D+01  0.265900D+01  0.382016D+01
      6   0.495843D-01 -0.247090D+01 -0.164870D+02  0.105308D+02  0.465237D+01
               161           162           163           164           165 
      1   0.134933D+02 -0.894138D+01  0.176582D+01 -0.112621D+01 -0.146347D+00
      2  -0.202903D+02  0.950247D+01 -0.350834D+01  0.131405D+01  0.933603D-01
      3   0.679701D+01 -0.561084D+00  0.174252D+01 -0.187848D+00  0.529871D-01
      4  -0.570050D+01  0.414927D+01  0.761873D+01  0.687571D+01  0.652446D+01
      5   0.424548D+01 -0.212045D+00  0.736130D+01  0.506462D+01  0.100796D+02
      6   0.161305D+02 -0.647374D+01  0.706418D+01  0.462748D+01  0.669044D+01
               166           167           168           169           170 
      1  -0.488538D+01 -0.116751D+02 -0.510415D+01 -0.497661D+01 -0.117890D+02
      2   0.633019D+01  0.134499D+02  0.428097D+01  0.317542D+00  0.678768D+01
      3  -0.144481D+01 -0.177488D+01  0.823180D+00  0.465907D+01  0.500134D+01
      4   0.552077D+01  0.831643D+01  0.516053D+01  0.127261D+02  0.110078D+02
      5   0.272135D+01  0.517958D+01  0.422691D+01  0.140457D+02  0.120929D+02
      6   0.457038D+01  0.799273D+01  0.964868D+01  0.141676D+02  0.204618D+02
               171           172           173           174           175 
      1  -0.178824D+02  0.377371D+01 -0.106034D+01  0.560936D+01  0.283927D+01
      2   0.118005D+01 -0.407416D+01  0.183376D+01 -0.357222D+00 -0.206957D+01
      3   0.167024D+02  0.300450D+00 -0.773418D+00 -0.525214D+01 -0.769702D+00
      4   0.117367D+02 -0.695112D+00 -0.143605D+01 -0.682849D+00 -0.170211D+01
      5   0.211265D+02  0.267436D+01  0.116440D+01  0.675314D+00  0.438286D+01
      6   0.307394D+02  0.264909D+00 -0.159447D+01  0.202427D+01 -0.853844D+00
               176           177           178           179           180 
      1  -0.497143D+01 -0.284531D+01  0.479702D+01 -0.151104D+01 -0.134578D+02
      2  -0.139245D+00 -0.900609D+01 -0.342170D+01 -0.695386D+01 -0.175909D+02
      3   0.511068D+01  0.118514D+02 -0.137532D+01  0.846490D+01  0.310487D+02
      4   0.588029D+01  0.542270D+01 -0.158333D+01  0.695539D+01  0.740713D+01
      5   0.377939D+01  0.114657D+02  0.633498D+01  0.464937D+01  0.233254D+02
      6   0.184033D+01  0.794647D+00 -0.442516D+00  0.359961D+01 -0.537670D+01
               181           182           183           184           185 
      1   0.787294D+02 -0.140214D+02  0.195329D+01 -0.506344D+01  0.436068D+01
      2  -0.361114D+02  0.305179D+01 -0.303414D+01 -0.117525D+01  0.179322D+01
      3  -0.426181D+02  0.109696D+02  0.108084D+01  0.623869D+01 -0.615390D+01
      4  -0.434421D+02  0.197174D+02 -0.309670D+01  0.148076D+02 -0.960161D+01
      5   0.187723D+02 -0.483301D+01  0.114077D+02 -0.906166D+00  0.167364D+01
      6  -0.373657D+01  0.300220D+01 -0.473839D+01  0.121081D+01 -0.201485D+01
               186           187           188           189           190 
      1   0.264118D+00 -0.594483D+01  0.966800D+00  0.565665D+01 -0.442012D+00
      2  -0.132558D+01  0.726939D+00 -0.231515D+00 -0.479516D+01  0.390214D+01
      3   0.106146D+01  0.521789D+01 -0.735286D+00 -0.861497D+00 -0.346013D+01
      4   0.907770D+00  0.464189D+01 -0.241824D+01 -0.182219D+01 -0.151326D+01
      5   0.893921D-01  0.917888D+01 -0.619151D+00  0.711364D+00 -0.727592D+00
      6   0.138608D+01 -0.320488D+01  0.123285D+01  0.495492D+00 -0.148230D+01
               191           192           193           194           195 
      1  -0.126683D+02  0.420551D+01 -0.868981D+01 -0.305914D+02  0.792129D+01
      2   0.137809D+02 -0.249329D+01  0.582625D+01  0.440791D+02 -0.808050D+01
      3  -0.111258D+01 -0.171222D+01  0.286356D+01 -0.134877D+02  0.159211D+00
      4  -0.156032D+01  0.125375D+01  0.594901D+01 -0.248526D+02  0.662905D+01
      5  -0.340634D+00 -0.191493D+01 -0.323741D+01  0.432936D+01 -0.389881D+01
      6  -0.612112D+01  0.445227D+01 -0.896674D+00 -0.190002D+02  0.108124D+02
               196           197           198 
      1   0.553506D+00  0.610892D+01 -0.745522D+01
      2  -0.200566D+00 -0.482422D+01  0.408493D+01
      3  -0.352940D+00 -0.128470D+01  0.337029D+01
      4   0.102723D+01  0.314555D+01 -0.144322D+01
      5   0.384002D+00 -0.216954D+01  0.268178D+01
      6   0.179607D+01  0.956408D+01 -0.532912D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117451D+03      0.174044D+02      0.193650D+02
   aniso      0.575302D+02      0.852510D+01      0.948545D+01
   xx         0.146440D+03      0.217002D+02      0.241447D+02
   yx         0.168942D+01      0.250347D+00      0.278548D+00
   yy         0.123822D+03      0.183485D+02      0.204155D+02
   zx        -0.233449D+01     -0.345936D+00     -0.384906D+00
   zy         0.541047D+01      0.801749D+00      0.892066D+00
   zz         0.820904D+02      0.121645D+02      0.135349D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117451D+03      0.174044D+02      0.193650D+02
   aniso      0.575302D+02      0.852510D+01      0.948545D+01
   xx         0.859450D+02      0.127357D+02      0.141704D+02
   yx        -0.132669D+02     -0.196595D+01     -0.218742D+01
   yy         0.120253D+03      0.178196D+02      0.198270D+02
   zx        -0.163223D+01     -0.241872D+00     -0.269118D+00
   zy        -0.351769D+01     -0.521268D+00     -0.579988D+00
   zz         0.146155D+03      0.216579D+02      0.240977D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K10-16-02\Freq\RB3LYP\Gen\C10H12\PIERPA\16-Jul-2021\0\\#P
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 97977,-0.0099376,-0.0159108,0.0011101,0.1171152,0.0351144,-0.0075623,0
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 00000176,0.00000213,0.00000024,0.00000131\\\@


 MATERIAL COPIED FROM ONE SCHOLARLY BOOK WITHOUT CREDIT COMPRISES PLAGIARISM.
 MATERIAL COPIED FROM TWO SCHOLARLY BOOKS COMPRISES AN ESSAY.
 MATERIAL COPIED FROM THREE SCHOLARLY BOOKS COMPRISES A DISSERTATION.
 MATERIAL COPIED FROM FOUR SCHOLARLY BOOKS COMPRISES A FIFTH SCHOLARLY BOOK.

                               -- C&EN, 25 FEB 1980
 Job cpu time:       0 days  3 hours 29 minutes 14.5 seconds.
 Elapsed time:       0 days  0 hours 26 minutes 13.8 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:36:20 2021.
